---
_id: '7120'
abstract:
- lang: eng
  text: Current simulation workflows overwhelmingly rely on idealized or implicit
    microstructures, which prevents true side‑by‑side comparison with experiments
    and slows methodological progress. Directly simulating experimentally identical
    samples—using atomistic and continuum models—is a critical yet largely unrealized
    step toward predictive, microstructure‑aware materials discovery. In this work,
    we introduce MultiBEST, a unified GUI‑based framework that constructs experimentally
    faithful atomistic and continuum models directly from 2D micrographs, EBSD data,
    or simple user sketches. The resulting continuum representations explicitly resolve
    grain boundaries as crystallography‑aware volumetric interfaces with distinct
    properties, enabling multiscale modelling that approaches atomistic‑level fidelity.
    MultiBEST delivers an end‑to‑end pipeline—from image processing to final model
    export—with tunable computational cost, from rapid prototyping to large‑scale
    simulations.
author:
- first_name: Vahid
  full_name: Jamebozorgi, Vahid
  id: '242086'
  last_name: Jamebozorgi
  orcid: 0009-0005-5700-3549
- first_name: Robin
  full_name: Quisbrok, Robin
  last_name: Quisbrok
- first_name: Amirbahador
  full_name: Nasari, Amirbahador
  last_name: Nasari
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/225113793
citation:
  alphadin: '<span style="font-variant:small-caps;">Jamebozorgi, Vahid</span> ; <span
    style="font-variant:small-caps;">Quisbrok, Robin</span> ; <span style="font-variant:small-caps;">Nasari,
    Amirbahador</span> ; <span style="font-variant:small-caps;">Schröder, Christian</span>:
    <i>MultiBEST – Multiscale/Multiphase Bridging Experiment and Simulation Toolkit</i> :
    Vahid Jamebozorgi, self-published, 2026'
  ama: Jamebozorgi V, Quisbrok R, Nasari A, Schröder C. <i>MultiBEST – Multiscale/Multiphase
    Bridging Experiment and Simulation Toolkit</i>. Vahid Jamebozorgi, self-published;
    2026.
  apa: Jamebozorgi, V., Quisbrok, R., Nasari, A., &#38; Schröder, C. (2026). <i>MultiBEST
    – Multiscale/Multiphase Bridging Experiment and Simulation Toolkit</i>. Vahid
    Jamebozorgi, self-published.
  bibtex: '@book{Jamebozorgi_Quisbrok_Nasari_Schröder_2026, title={MultiBEST – Multiscale/Multiphase
    Bridging Experiment and Simulation Toolkit}, publisher={Vahid Jamebozorgi, self-published},
    author={Jamebozorgi, Vahid and Quisbrok, Robin and Nasari, Amirbahador and Schröder,
    Christian}, year={2026} }'
  chicago: Jamebozorgi, Vahid, Robin Quisbrok, Amirbahador Nasari, and Christian Schröder.
    <i>MultiBEST – Multiscale/Multiphase Bridging Experiment and Simulation Toolkit</i>.
    Vahid Jamebozorgi, self-published, 2026.
  ieee: V. Jamebozorgi, R. Quisbrok, A. Nasari, and C. Schröder, <i>MultiBEST – Multiscale/Multiphase
    Bridging Experiment and Simulation Toolkit</i>. Vahid Jamebozorgi, self-published,
    2026.
  mla: Jamebozorgi, Vahid, et al. <i>MultiBEST – Multiscale/Multiphase Bridging Experiment
    and Simulation Toolkit</i>. Vahid Jamebozorgi, self-published, 2026.
  short: V. Jamebozorgi, R. Quisbrok, A. Nasari, C. Schröder, MultiBEST – Multiscale/Multiphase
    Bridging Experiment and Simulation Toolkit, Vahid Jamebozorgi, self-published,
    2026.
date_created: 2026-08-24T16:35:13Z
date_updated: 2026-08-28T13:46:33Z
department:
- _id: '103'
keyword:
- Atomistic simulation
- EBSD
- Mesh generation
- Finite element methods
- Image processing
- Digital-twin
- Multiscale modeling
project:
- _id: f89a05bb-bcea-11ed-9442-ed382659bc06
  name: Bielefelder Institut für Angewandte Materialforschung
publisher: Vahid Jamebozorgi, self-published
related_material:
  link:
  - relation: confirmation
    url: https://github.com/Vahid-jb/MultiBEST---Multiscale-Multiphase-Bridging-Experiment-and-Simulation-Toolkit
research_group:
- _id: af778127-b366-11ed-bde2-daed2b8eafee
  name: Bielefelder Institut für Angewandte Materialforschung (BIfAM)
status: public
title: MultiBEST – Multiscale/Multiphase Bridging Experiment and Simulation Toolkit
type: research_data
user_id: '242086'
year: '2026'
...
---
_id: '7119'
abstract:
- lang: eng
  text: Material discovery using traditional experimental methods is a slow and costly
    process, often limited by the sampling process, characterization condition constraints,
    and the requirement for expensive equipment. While computational tools have transformed
    materials research by accelerating the investigation of material properties, a
    significant gap remains in connecting high-fidelity simulations with established
    experimental characterization techniques. Virtual Characterization Lab (VCL),
    a unified, open-source toolkit designed to bridge this gap. The VCL streamlines
    pre- and post-processing workflows—primarily designed for, but not limited to,
    molecular dynamics (MD) simulations. It enables researchers to analyze crystallography
    and generate essential characterization data, including X-ray Diffraction (XRD),
    Selected Area Electron Diffraction (SAED), Vibrational Density of States (VDOS),
    and Infrared (IR) spectra, all within a single, intuitive graphical user interface
    (GUI). By integrating every step from initial structure preparation to final data
    visualization, the VCL accelerates materials discovery by making virtual characterization
    more efficient, accessible, and directly comparable to experimental results.
author:
- first_name: Vahid
  full_name: Jamebozorgi, Vahid
  id: '242086'
  last_name: Jamebozorgi
  orcid: 0009-0005-5700-3549
- first_name: Robin
  full_name: Quisbrok, Robin
  last_name: Quisbrok
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/225113776
citation:
  alphadin: '<span style="font-variant:small-caps;">Jamebozorgi, Vahid</span> ; <span
    style="font-variant:small-caps;">Quisbrok, Robin</span> ; <span style="font-variant:small-caps;">Schröder,
    Christian</span>: <i>Virtual Characterization Lab Toolkit</i> : Vahid Jamebozorgi,
    self-published, 2026'
  ama: Jamebozorgi V, Quisbrok R, Schröder C. <i>Virtual Characterization Lab Toolkit</i>.
    Vahid Jamebozorgi, self-published; 2026.
  apa: Jamebozorgi, V., Quisbrok, R., &#38; Schröder, C. (2026). <i>Virtual Characterization
    Lab Toolkit</i>. Vahid Jamebozorgi, self-published.
  bibtex: '@book{Jamebozorgi_Quisbrok_Schröder_2026, title={Virtual Characterization
    Lab Toolkit}, publisher={Vahid Jamebozorgi, self-published}, author={Jamebozorgi,
    Vahid and Quisbrok, Robin and Schröder, Christian}, year={2026} }'
  chicago: Jamebozorgi, Vahid, Robin Quisbrok, and Christian Schröder. <i>Virtual
    Characterization Lab Toolkit</i>. Vahid Jamebozorgi, self-published, 2026.
  ieee: V. Jamebozorgi, R. Quisbrok, and C. Schröder, <i>Virtual Characterization
    Lab Toolkit</i>. Vahid Jamebozorgi, self-published, 2026.
  mla: Jamebozorgi, Vahid, et al. <i>Virtual Characterization Lab Toolkit</i>. Vahid
    Jamebozorgi, self-published, 2026.
  short: V. Jamebozorgi, R. Quisbrok, C. Schröder, Virtual Characterization Lab Toolkit,
    Vahid Jamebozorgi, self-published, 2026.
date_created: 2026-08-24T16:29:50Z
date_updated: 2026-08-28T13:46:22Z
department:
- _id: '103'
keyword:
- Atomistic simulation
- Defects
- XRD
- TEM
- Vibrational analysis
- Virtual material characterization
project:
- _id: f89a05bb-bcea-11ed-9442-ed382659bc06
  name: Bielefelder Institut für Angewandte Materialforschung
publisher: Vahid Jamebozorgi, self-published
related_material:
  link:
  - relation: confirmation
    url: https://github.com/Vahid-jb/Virtual-Characterization-Lab-Toolkit
research_group:
- _id: af778127-b366-11ed-bde2-daed2b8eafee
  name: Bielefelder Institut für Angewandte Materialforschung (BIfAM)
status: public
title: Virtual Characterization Lab Toolkit
type: research_data
user_id: '242086'
year: '2026'
...
---
_id: '6881'
article_number: '187842'
author:
- first_name: Aleksei S.
  full_name: Komlev, Aleksei S.
  last_name: Komlev
- first_name: Anna R.
  full_name: Vashchenkova, Anna R.
  last_name: Vashchenkova
- first_name: Alisa M
  full_name: Chirkova, Alisa M
  id: '250717'
  last_name: Chirkova
  orcid: 0000-0001-5455-4197
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0001-5455-4197/work/224480671
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/213311656
- first_name: Diana I.
  full_name: Komleva, Diana I.
  last_name: Komleva
- first_name: Nikolai S.
  full_name: Perov, Nikolai S.
  last_name: Perov
citation:
  alphadin: '<span style="font-variant:small-caps;">Komlev, Aleksei S.</span> ; <span
    style="font-variant:small-caps;">Vashchenkova, Anna R.</span> ; <span style="font-variant:small-caps;">Chirkova,
    Alisa M</span> ; <span style="font-variant:small-caps;">Schröder, Christian</span>
    ; <span style="font-variant:small-caps;">Komleva, Diana I.</span> ; <span style="font-variant:small-caps;">Perov,
    Nikolai S.</span>: Magnetic viscosity of the FeRh alloy under nonstationary external
    excitation near the phase transition temperature. In: <i>Journal of Alloys and
    Compounds</i> Bd. 1064, Elsevier (2026)'
  ama: Komlev AS, Vashchenkova AR, Chirkova AM, Schröder C, Komleva DI, Perov NS.
    Magnetic viscosity of the FeRh alloy under nonstationary external excitation near
    the phase transition temperature. <i>Journal of Alloys and Compounds</i>. 2026;1064.
    doi:<a href="https://doi.org/10.1016/j.jallcom.2026.187842">10.1016/j.jallcom.2026.187842</a>
  apa: Komlev, A. S., Vashchenkova, A. R., Chirkova, A. M., Schröder, C., Komleva,
    D. I., &#38; Perov, N. S. (2026). Magnetic viscosity of the FeRh alloy under nonstationary
    external excitation near the phase transition temperature. <i>Journal of Alloys
    and Compounds</i>, <i>1064</i>. <a href="https://doi.org/10.1016/j.jallcom.2026.187842">https://doi.org/10.1016/j.jallcom.2026.187842</a>
  bibtex: '@article{Komlev_Vashchenkova_Chirkova_Schröder_Komleva_Perov_2026, title={Magnetic
    viscosity of the FeRh alloy under nonstationary external excitation near the phase
    transition temperature}, volume={1064}, DOI={<a href="https://doi.org/10.1016/j.jallcom.2026.187842">10.1016/j.jallcom.2026.187842</a>},
    number={187842}, journal={Journal of Alloys and Compounds}, publisher={Elsevier},
    author={Komlev, Aleksei S. and Vashchenkova, Anna R. and Chirkova, Alisa M and
    Schröder, Christian and Komleva, Diana I. and Perov, Nikolai S.}, year={2026}
    }'
  chicago: Komlev, Aleksei S., Anna R. Vashchenkova, Alisa M Chirkova, Christian Schröder,
    Diana I. Komleva, and Nikolai S. Perov. “Magnetic Viscosity of the FeRh Alloy
    under Nonstationary External Excitation near the Phase Transition Temperature.”
    <i>Journal of Alloys and Compounds</i> 1064 (2026). <a href="https://doi.org/10.1016/j.jallcom.2026.187842">https://doi.org/10.1016/j.jallcom.2026.187842</a>.
  ieee: A. S. Komlev, A. R. Vashchenkova, A. M. Chirkova, C. Schröder, D. I. Komleva,
    and N. S. Perov, “Magnetic viscosity of the FeRh alloy under nonstationary external
    excitation near the phase transition temperature,” <i>Journal of Alloys and Compounds</i>,
    vol. 1064, 2026.
  mla: Komlev, Aleksei S., et al. “Magnetic Viscosity of the FeRh Alloy under Nonstationary
    External Excitation near the Phase Transition Temperature.” <i>Journal of Alloys
    and Compounds</i>, vol. 1064, 187842, Elsevier, 2026, doi:<a href="https://doi.org/10.1016/j.jallcom.2026.187842">10.1016/j.jallcom.2026.187842</a>.
  short: A.S. Komlev, A.R. Vashchenkova, A.M. Chirkova, C. Schröder, D.I. Komleva,
    N.S. Perov, Journal of Alloys and Compounds 1064 (2026).
date_created: 2026-04-29T11:40:29Z
date_updated: 2026-08-21T11:45:44Z
doi: 10.1016/j.jallcom.2026.187842
intvolume: '      1064'
language:
- iso: eng
publication: Journal of Alloys and Compounds
publication_identifier:
  issn:
  - 0925-8388
publication_status: published
publisher: Elsevier
quality_controlled: '1'
status: public
title: Magnetic viscosity of the FeRh alloy under nonstationary external excitation
  near the phase transition temperature
type: journal_article
user_id: '35809'
volume: 1064
year: '2026'
...
---
_id: '7102'
article_number: '190307'
author:
- first_name: Radel
  full_name: Gimaev, Radel
  last_name: Gimaev
- first_name: Alexey
  full_name: Karpenkov, Alexey
  last_name: Karpenkov
- first_name: Fedor
  full_name: Shelkovyi, Fedor
  last_name: Shelkovyi
- first_name: Alisa M
  full_name: Chirkova, Alisa M
  id: '250717'
  last_name: Chirkova
  orcid: 0000-0001-5455-4197
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0001-5455-4197/work/224480642
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/224151443
- first_name: Gleb
  full_name: Zhezlyaev, Gleb
  last_name: Zhezlyaev
- first_name: Denis
  full_name: Devyaterikov, Denis
  last_name: Devyaterikov
- first_name: Alexei
  full_name: Vagov, Alexei
  last_name: Vagov
- first_name: Dmitry
  full_name: Vasilyev, Dmitry
  last_name: Vasilyev
- first_name: Natalia
  full_name: Kolchugina, Natalia
  last_name: Kolchugina
- first_name: Galina
  full_name: Politova, Galina
  last_name: Politova
- first_name: Alexandr
  full_name: Nikitin, Alexandr
  last_name: Nikitin
- first_name: Valerii
  full_name: Savin, Valerii
  last_name: Savin
- first_name: Valeria
  full_name: Kolesnikova, Valeria
  last_name: Kolesnikova
- first_name: Abel S.
  full_name: Maldonado, Abel S.
  last_name: Maldonado
- first_name: Gabriela F.
  full_name: Cabeza, Gabriela F.
  last_name: Cabeza
- first_name: Nikolai
  full_name: Baranov, Nikolai
  last_name: Baranov
- first_name: Vladimir
  full_name: Zverev, Vladimir
  last_name: Zverev
citation:
  alphadin: '<span style="font-variant:small-caps;"><span style="font-variant:small-caps;">Gimaev,
    Radel</span> ; <span style="font-variant:small-caps;">Karpenkov, Alexey</span>
    ; <span style="font-variant:small-caps;">Shelkovyi, Fedor</span> ; <span style="font-variant:small-caps;">Chirkova,
    Alisa M</span> ; <span style="font-variant:small-caps;">Schröder, Christian</span>
    ; <span style="font-variant:small-caps;">Zhezlyaev, Gleb</span> ; <span style="font-variant:small-caps;">Devyaterikov,
    Denis</span> ; <span style="font-variant:small-caps;">Vagov, Alexei</span> ; u. a.</span>:
    Giant magnetocaloric effect in the quaternary Fe–Rh–Pd–Ir alloy: experimental
    and first-principles study. In: <i>Journal of Alloys and Compounds</i> Bd. 1080,
    Elsevier BV (2026)'
  ama: 'Gimaev R, Karpenkov A, Shelkovyi F, et al. Giant magnetocaloric effect in
    the quaternary Fe–Rh–Pd–Ir alloy: experimental and first-principles study. <i>Journal
    of Alloys and Compounds</i>. 2026;1080. doi:<a href="https://doi.org/10.1016/j.jallcom.2026.190307">10.1016/j.jallcom.2026.190307</a>'
  apa: 'Gimaev, R., Karpenkov, A., Shelkovyi, F., Chirkova, A. M., Schröder, C., Zhezlyaev,
    G., … Zverev, V. (2026). Giant magnetocaloric effect in the quaternary Fe–Rh–Pd–Ir
    alloy: experimental and first-principles study. <i>Journal of Alloys and Compounds</i>,
    <i>1080</i>. <a href="https://doi.org/10.1016/j.jallcom.2026.190307">https://doi.org/10.1016/j.jallcom.2026.190307</a>'
  bibtex: '@article{Gimaev_Karpenkov_Shelkovyi_Chirkova_Schröder_Zhezlyaev_Devyaterikov_Vagov_Vasilyev_Kolchugina_et
    al._2026, title={Giant magnetocaloric effect in the quaternary Fe–Rh–Pd–Ir alloy:
    experimental and first-principles study}, volume={1080}, DOI={<a href="https://doi.org/10.1016/j.jallcom.2026.190307">10.1016/j.jallcom.2026.190307</a>},
    number={190307}, journal={Journal of Alloys and Compounds}, publisher={Elsevier
    BV}, author={Gimaev, Radel and Karpenkov, Alexey and Shelkovyi, Fedor and Chirkova,
    Alisa M and Schröder, Christian and Zhezlyaev, Gleb and Devyaterikov, Denis and
    Vagov, Alexei and Vasilyev, Dmitry and Kolchugina, Natalia and et al.}, year={2026}
    }'
  chicago: 'Gimaev, Radel, Alexey Karpenkov, Fedor Shelkovyi, Alisa M Chirkova, Christian
    Schröder, Gleb Zhezlyaev, Denis Devyaterikov, et al. “Giant Magnetocaloric Effect
    in the Quaternary Fe–Rh–Pd–Ir Alloy: Experimental and First-Principles Study.”
    <i>Journal of Alloys and Compounds</i> 1080 (2026). <a href="https://doi.org/10.1016/j.jallcom.2026.190307">https://doi.org/10.1016/j.jallcom.2026.190307</a>.'
  ieee: 'R. Gimaev <i>et al.</i>, “Giant magnetocaloric effect in the quaternary Fe–Rh–Pd–Ir
    alloy: experimental and first-principles study,” <i>Journal of Alloys and Compounds</i>,
    vol. 1080, 2026.'
  mla: 'Gimaev, Radel, et al. “Giant Magnetocaloric Effect in the Quaternary Fe–Rh–Pd–Ir
    Alloy: Experimental and First-Principles Study.” <i>Journal of Alloys and Compounds</i>,
    vol. 1080, 190307, Elsevier BV, 2026, doi:<a href="https://doi.org/10.1016/j.jallcom.2026.190307">10.1016/j.jallcom.2026.190307</a>.'
  short: R. Gimaev, A. Karpenkov, F. Shelkovyi, A.M. Chirkova, C. Schröder, G. Zhezlyaev,
    D. Devyaterikov, A. Vagov, D. Vasilyev, N. Kolchugina, G. Politova, A. Nikitin,
    V. Savin, V. Kolesnikova, A.S. Maldonado, G.F. Cabeza, N. Baranov, V. Zverev,
    Journal of Alloys and Compounds 1080 (2026).
date_created: 2026-08-14T09:05:31Z
date_updated: 2026-08-21T11:45:09Z
doi: 10.1016/j.jallcom.2026.190307
intvolume: '      1080'
language:
- iso: eng
publication: Journal of Alloys and Compounds
publication_identifier:
  issn:
  - 0925-8388
publication_status: published
publisher: Elsevier BV
quality_controlled: '1'
status: public
title: 'Giant magnetocaloric effect in the quaternary Fe–Rh–Pd–Ir alloy: experimental
  and first-principles study'
type: journal_article
user_id: '35809'
volume: 1080
year: '2026'
...
---
_id: '7117'
author:
- first_name: Vahid
  full_name: Jamebozorgi, Vahid
  id: '242086'
  last_name: Jamebozorgi
  orcid: 0009-0005-5700-3549
- first_name: Karsten
  full_name: Rasim, Karsten
  last_name: Rasim
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/225113493
citation:
  alphadin: '<span style="font-variant:small-caps;">Jamebozorgi, Vahid</span> ; <span
    style="font-variant:small-caps;">Rasim, Karsten</span> ; <span style="font-variant:small-caps;">Schröder,
    Christian</span>: Multiscale modeling of corrosion-induced intergranular strain
    in iron under alkaline conditions. In: , <i>Verhandlungen der Deutschen Physikalischen
    Gesellschaft</i>. Bd. 60 (2025), Nr. 3'
  ama: Jamebozorgi V, Rasim K, Schröder C. Multiscale modeling of corrosion-induced
    intergranular strain in iron under alkaline conditions. 2025;60(3).
  apa: Jamebozorgi, V., Rasim, K., &#38; Schröder, C. (2025). Multiscale modeling
    of corrosion-induced intergranular strain in iron under alkaline conditions. Presented
    at the Frühjahrstagung der Deutschen Physikalischen Gesellschaft, Regensburg.
  bibtex: '@article{Jamebozorgi_Rasim_Schröder_2025, series={Verhandlungen der Deutschen
    Physikalischen Gesellschaft}, title={Multiscale modeling of corrosion-induced
    intergranular strain in iron under alkaline conditions}, volume={60}, number={3},
    author={Jamebozorgi, Vahid and Rasim, Karsten and Schröder, Christian}, year={2025},
    collection={Verhandlungen der Deutschen Physikalischen Gesellschaft} }'
  chicago: Jamebozorgi, Vahid, Karsten Rasim, and Christian Schröder. “Multiscale
    Modeling of Corrosion-Induced Intergranular Strain in Iron under Alkaline Conditions.”
    Verhandlungen Der Deutschen Physikalischen Gesellschaft, 2025.
  ieee: V. Jamebozorgi, K. Rasim, and C. Schröder, “Multiscale modeling of corrosion-induced
    intergranular strain in iron under alkaline conditions,” vol. 60, no. 3. 2025.
  mla: Jamebozorgi, Vahid, et al. <i>Multiscale Modeling of Corrosion-Induced Intergranular
    Strain in Iron under Alkaline Conditions</i>. Vol. 60, no. 3, 2025.
  short: V. Jamebozorgi, K. Rasim, C. Schröder, 60 (2025).
conference:
  end_date: 2025-03-21
  location: Regensburg
  name: Frühjahrstagung der Deutschen Physikalischen Gesellschaft
  start_date: 2025-03-16
date_created: 2026-08-24T15:59:04Z
date_updated: 2026-08-28T15:31:52Z
department:
- _id: '103'
intvolume: '        60'
issue: '3'
language:
- iso: eng
publication_identifier:
  eissn:
  - '751-0522 '
related_material:
  link:
  - relation: other
    url: https://www.dpg-physik.de/aktivitaeten-und-programme/tagungen/fruehjahrstagungen/2025
research_group:
- _id: af778127-b366-11ed-bde2-daed2b8eafee
  name: Bielefelder Institut für Angewandte Materialforschung (BIfAM)
series_title: Verhandlungen der Deutschen Physikalischen Gesellschaft
status: public
title: Multiscale modeling of corrosion-induced intergranular strain in iron under
  alkaline conditions
type: conference
user_id: '220548'
volume: 60
year: '2025'
...
---
_id: '5970'
article_number: '114016'
author:
- first_name: Vahid
  full_name: Jamebozorgi, Vahid
  id: '242086'
  last_name: Jamebozorgi
  orcid: 0009-0005-5700-3549
- first_name: Karsten
  full_name: Rasim, Karsten
  last_name: Rasim
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/186776094
citation:
  alphadin: '<span style="font-variant:small-caps;">Jamebozorgi, Vahid</span> ; <span
    style="font-variant:small-caps;">Rasim, Karsten</span> ; <span style="font-variant:small-caps;">Schröder,
    Christian</span>: Multiscale modelling of corrosion-induced intergranular strain
    in iron under alkaline conditions. In: <i>Computational Materials Science</i>
    Bd. 258, Elsevier BV (2025)'
  ama: Jamebozorgi V, Rasim K, Schröder C. Multiscale modelling of corrosion-induced
    intergranular strain in iron under alkaline conditions. <i>Computational Materials
    Science</i>. 2025;258. doi:<a href="https://doi.org/10.1016/j.commatsci.2025.114016">10.1016/j.commatsci.2025.114016</a>
  apa: Jamebozorgi, V., Rasim, K., &#38; Schröder, C. (2025). Multiscale modelling
    of corrosion-induced intergranular strain in iron under alkaline conditions. <i>Computational
    Materials Science</i>, <i>258</i>. <a href="https://doi.org/10.1016/j.commatsci.2025.114016">https://doi.org/10.1016/j.commatsci.2025.114016</a>
  bibtex: '@article{Jamebozorgi_Rasim_Schröder_2025, title={Multiscale modelling of
    corrosion-induced intergranular strain in iron under alkaline conditions}, volume={258},
    DOI={<a href="https://doi.org/10.1016/j.commatsci.2025.114016">10.1016/j.commatsci.2025.114016</a>},
    number={114016}, journal={Computational Materials Science}, publisher={Elsevier
    BV}, author={Jamebozorgi, Vahid and Rasim, Karsten and Schröder, Christian}, year={2025}
    }'
  chicago: Jamebozorgi, Vahid, Karsten Rasim, and Christian Schröder. “Multiscale
    Modelling of Corrosion-Induced Intergranular Strain in Iron under Alkaline Conditions.”
    <i>Computational Materials Science</i> 258 (2025). <a href="https://doi.org/10.1016/j.commatsci.2025.114016">https://doi.org/10.1016/j.commatsci.2025.114016</a>.
  ieee: V. Jamebozorgi, K. Rasim, and C. Schröder, “Multiscale modelling of corrosion-induced
    intergranular strain in iron under alkaline conditions,” <i>Computational Materials
    Science</i>, vol. 258, 2025.
  mla: Jamebozorgi, Vahid, et al. “Multiscale Modelling of Corrosion-Induced Intergranular
    Strain in Iron under Alkaline Conditions.” <i>Computational Materials Science</i>,
    vol. 258, 114016, Elsevier BV, 2025, doi:<a href="https://doi.org/10.1016/j.commatsci.2025.114016">10.1016/j.commatsci.2025.114016</a>.
  short: V. Jamebozorgi, K. Rasim, C. Schröder, Computational Materials Science 258
    (2025).
date_created: 2025-06-27T06:55:17Z
date_updated: 2026-08-28T13:05:28Z
department:
- _id: '103'
doi: 10.1016/j.commatsci.2025.114016
intvolume: '       258'
language:
- iso: eng
project:
- _id: f89a05bb-bcea-11ed-9442-ed382659bc06
  name: Bielefelder Institut für Angewandte Materialforschung
publication: Computational Materials Science
publication_identifier:
  issn:
  - 0927-0256
publication_status: published
publisher: Elsevier BV
quality_controlled: '1'
research_group:
- _id: af778127-b366-11ed-bde2-daed2b8eafee
  name: Bielefelder Institut für Angewandte Materialforschung (BIfAM)
status: public
title: Multiscale modelling of corrosion-induced intergranular strain in iron under
  alkaline conditions
type: journal_article
user_id: '220548'
volume: 258
year: '2025'
...
---
_id: '6425'
alternative_id:
- '6597'
author:
- first_name: Simon
  full_name: Bekemeier, Simon
  id: '211588'
  last_name: Bekemeier
  orcid: 0000-0001-8736-8796
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0001-8736-8796/work/199764148
- first_name: Moritz
  full_name: Blum, Moritz
  last_name: Blum
- first_name: Luana
  full_name: Caron, Luana
  last_name: Caron
- first_name: Alisa
  full_name: Chirkova, Alisa
  last_name: Chirkova
- first_name: Philipp
  full_name: Cimiano, Philipp
  last_name: Cimiano
- first_name: Basil
  full_name: Ell, Basil
  last_name: Ell
- first_name: Inga
  full_name: Ennen, Inga
  last_name: Ennen
- first_name: Michael
  full_name: Feige, Michael
  last_name: Feige
- first_name: Maik
  full_name: Gaerner, Maik
  last_name: Gaerner
- first_name: Thomas
  full_name: Hilbig, Thomas
  last_name: Hilbig
- first_name: Andreas
  full_name: Hütten, Andreas
  last_name: Hütten
- first_name: Günter
  full_name: Reiss, Günter
  last_name: Reiss
- first_name: Tapas
  full_name: Samanta, Tapas
  last_name: Samanta
- first_name: Sonja
  full_name: Schöning, Sonja
  id: '202389'
  last_name: Schöning
  orcid: 0000-0002-5503-2128
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-5503-2128/work/199764150
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/199764151
- first_name: Lennart
  full_name: Schwan, Lennart
  id: '211874'
  last_name: Schwan
- first_name: Chris
  full_name: Taake, Chris
  last_name: Taake
- first_name: Martin
  full_name: Wortmann, Martin
  last_name: Wortmann
citation:
  alphadin: '<span style="font-variant:small-caps;"><span style="font-variant:small-caps;">Bekemeier,
    Simon</span> ; <span style="font-variant:small-caps;">Blum, Moritz</span> ; <span
    style="font-variant:small-caps;">Caron, Luana</span> ; <span style="font-variant:small-caps;">Chirkova,
    Alisa</span> ; <span style="font-variant:small-caps;">Cimiano, Philipp</span>
    ; <span style="font-variant:small-caps;">Ell, Basil</span> ; <span style="font-variant:small-caps;">Ennen,
    Inga</span> ; <span style="font-variant:small-caps;">Feige, Michael</span> ; u. a.</span>:
    Fostering Innovation: Streamlining Magnetocaloric Materials Research by Digitalization.
    In: <i>Advanced Engineering Materials</i>, Wiley (2025)'
  ama: 'Bekemeier S, Blum M, Caron L, et al. Fostering Innovation: Streamlining Magnetocaloric
    Materials Research by Digitalization. <i>Advanced Engineering Materials</i>. 2025.
    doi:<a href="https://doi.org/10.1002/adem.202503112">10.1002/adem.202503112</a>'
  apa: 'Bekemeier, S., Blum, M., Caron, L., Chirkova, A., Cimiano, P., Ell, B., …
    Wortmann, M. (2025). Fostering Innovation: Streamlining Magnetocaloric Materials
    Research by Digitalization. <i>Advanced Engineering Materials</i>. <a href="https://doi.org/10.1002/adem.202503112">https://doi.org/10.1002/adem.202503112</a>'
  bibtex: '@article{Bekemeier_Blum_Caron_Chirkova_Cimiano_Ell_Ennen_Feige_Gaerner_Hilbig_et
    al._2025, title={Fostering Innovation: Streamlining Magnetocaloric Materials Research
    by Digitalization}, DOI={<a href="https://doi.org/10.1002/adem.202503112">10.1002/adem.202503112</a>},
    journal={Advanced Engineering Materials}, publisher={Wiley}, author={Bekemeier,
    Simon and Blum, Moritz and Caron, Luana and Chirkova, Alisa and Cimiano, Philipp
    and Ell, Basil and Ennen, Inga and Feige, Michael and Gaerner, Maik and Hilbig,
    Thomas and et al.}, year={2025} }'
  chicago: 'Bekemeier, Simon, Moritz Blum, Luana Caron, Alisa Chirkova, Philipp Cimiano,
    Basil Ell, Inga Ennen, et al. “Fostering Innovation: Streamlining Magnetocaloric
    Materials Research by Digitalization.” <i>Advanced Engineering Materials</i>,
    2025. <a href="https://doi.org/10.1002/adem.202503112">https://doi.org/10.1002/adem.202503112</a>.'
  ieee: 'S. Bekemeier <i>et al.</i>, “Fostering Innovation: Streamlining Magnetocaloric
    Materials Research by Digitalization,” <i>Advanced Engineering Materials</i>,
    2025.'
  mla: 'Bekemeier, Simon, et al. “Fostering Innovation: Streamlining Magnetocaloric
    Materials Research by Digitalization.” <i>Advanced Engineering Materials</i>,
    Wiley, 2025, doi:<a href="https://doi.org/10.1002/adem.202503112">10.1002/adem.202503112</a>.'
  short: S. Bekemeier, M. Blum, L. Caron, A. Chirkova, P. Cimiano, B. Ell, I. Ennen,
    M. Feige, M. Gaerner, T. Hilbig, A. Hütten, G. Reiss, T. Samanta, S. Schöning,
    C. Schröder, L. Schwan, C. Taake, M. Wortmann, Advanced Engineering Materials
    (2025).
date_created: 2025-12-15T10:27:13Z
date_updated: 2026-08-21T11:48:50Z
doi: 10.1002/adem.202503112
language:
- iso: eng
main_file_link:
- open_access: '1'
oa: '1'
project:
- _id: f89a05bb-bcea-11ed-9442-ed382659bc06
  name: Bielefelder Institut für Angewandte Materialforschung
publication: Advanced Engineering Materials
publication_status: published
publisher: Wiley
quality_controlled: '1'
status: public
title: 'Fostering Innovation: Streamlining Magnetocaloric Materials Research by Digitalization'
type: journal_article
user_id: '35809'
year: '2025'
...
---
_id: '5971'
article_number: '222402 '
author:
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/186776136
- first_name: Bereket
  full_name: Ghebretinsae, Bereket
  last_name: Ghebretinsae
- first_name: Martin
  full_name: Lonsky, Martin
  last_name: Lonsky
- first_name: Mohanad
  full_name: Al Mamoori, Mohanad
  last_name: Al Mamoori
- first_name: Fabrizio
  full_name: Porrati, Fabrizio
  last_name: Porrati
- first_name: Michael
  full_name: Huth, Michael
  last_name: Huth
- first_name: Jens
  full_name: Müller, Jens
  last_name: Müller
citation:
  alphadin: '<span style="font-variant:small-caps;">Schröder, Christian</span> ; <span
    style="font-variant:small-caps;">Ghebretinsae, Bereket</span> ; <span style="font-variant:small-caps;">Lonsky,
    Martin</span> ; <span style="font-variant:small-caps;">Al Mamoori, Mohanad</span>
    ; <span style="font-variant:small-caps;">Porrati, Fabrizio</span> ; <span style="font-variant:small-caps;">Huth,
    Michael</span> ; <span style="font-variant:small-caps;">Müller, Jens</span>: Origin
    of magnetic switching cascades in nanostructured Co3Fe tetrapods. In: <i>Applied
    Physics Letters</i> Bd. 126, AIP Publishing (2025), Nr. 22'
  ama: Schröder C, Ghebretinsae B, Lonsky M, et al. Origin of magnetic switching cascades
    in nanostructured Co3Fe tetrapods. <i>Applied Physics Letters</i>. 2025;126(22).
    doi:<a href="https://doi.org/10.1063/5.0254061">10.1063/5.0254061</a>
  apa: Schröder, C., Ghebretinsae, B., Lonsky, M., Al Mamoori, M., Porrati, F., Huth,
    M., &#38; Müller, J. (2025). Origin of magnetic switching cascades in nanostructured
    Co3Fe tetrapods. <i>Applied Physics Letters</i>, <i>126</i>(22). <a href="https://doi.org/10.1063/5.0254061">https://doi.org/10.1063/5.0254061</a>
  bibtex: '@article{Schröder_Ghebretinsae_Lonsky_Al Mamoori_Porrati_Huth_Müller_2025,
    title={Origin of magnetic switching cascades in nanostructured Co3Fe tetrapods},
    volume={126}, DOI={<a href="https://doi.org/10.1063/5.0254061">10.1063/5.0254061</a>},
    number={22222402}, journal={Applied Physics Letters}, publisher={AIP Publishing},
    author={Schröder, Christian and Ghebretinsae, Bereket and Lonsky, Martin and Al
    Mamoori, Mohanad and Porrati, Fabrizio and Huth, Michael and Müller, Jens}, year={2025}
    }'
  chicago: Schröder, Christian, Bereket Ghebretinsae, Martin Lonsky, Mohanad Al Mamoori,
    Fabrizio Porrati, Michael Huth, and Jens Müller. “Origin of Magnetic Switching
    Cascades in Nanostructured Co3Fe Tetrapods.” <i>Applied Physics Letters</i> 126,
    no. 22 (2025). <a href="https://doi.org/10.1063/5.0254061">https://doi.org/10.1063/5.0254061</a>.
  ieee: C. Schröder <i>et al.</i>, “Origin of magnetic switching cascades in nanostructured
    Co3Fe tetrapods,” <i>Applied Physics Letters</i>, vol. 126, no. 22, 2025.
  mla: Schröder, Christian, et al. “Origin of Magnetic Switching Cascades in Nanostructured
    Co3Fe Tetrapods.” <i>Applied Physics Letters</i>, vol. 126, no. 22, 222402, AIP
    Publishing, 2025, doi:<a href="https://doi.org/10.1063/5.0254061">10.1063/5.0254061</a>.
  short: C. Schröder, B. Ghebretinsae, M. Lonsky, M. Al Mamoori, F. Porrati, M. Huth,
    J. Müller, Applied Physics Letters 126 (2025).
date_created: 2025-06-27T06:56:30Z
date_updated: 2026-03-17T15:29:24Z
department:
- _id: '103'
doi: 10.1063/5.0254061
intvolume: '       126'
issue: '22'
language:
- iso: eng
project:
- _id: f89a05bb-bcea-11ed-9442-ed382659bc06
  name: Bielefelder Institut für Angewandte Materialforschung
publication: Applied Physics Letters
publication_identifier:
  eissn:
  - 1077-3118
  issn:
  - 0003-6951
publication_status: published
publisher: AIP Publishing
quality_controlled: '1'
research_group:
- _id: af778127-b366-11ed-bde2-daed2b8eafee
  name: Bielefelder Institut für Angewandte Materialforschung (BIfAM)
status: public
title: Origin of magnetic switching cascades in nanostructured Co3Fe tetrapods
type: journal_article
user_id: '220548'
volume: 126
year: '2025'
...
---
_id: '5415'
alternative_id:
- '5418'
article_number: '111761'
article_type: original
author:
- first_name: Vahid
  full_name: Jamebozorgi, Vahid
  id: '242086'
  last_name: Jamebozorgi
  orcid: 0009-0005-5700-3549
- first_name: Karsten
  full_name: Rasim, Karsten
  last_name: Rasim
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/176964319
citation:
  alphadin: '<span style="font-variant:small-caps;">Jamebozorgi, Vahid</span> ; <span
    style="font-variant:small-caps;">Rasim, Karsten</span> ; <span style="font-variant:small-caps;">Schröder,
    Christian</span>: Multiscale modeling of texture effects on pitting corrosion
    of iron. In: <i>Materials Today Communications</i> Bd. 43, Elsevier BV (2025)'
  ama: Jamebozorgi V, Rasim K, Schröder C. Multiscale modeling of texture effects
    on pitting corrosion of iron. <i>Materials Today Communications</i>. 2025;43.
    doi:<a href="https://doi.org/10.1016/j.mtcomm.2025.111761">10.1016/j.mtcomm.2025.111761</a>
  apa: Jamebozorgi, V., Rasim, K., &#38; Schröder, C. (2025). Multiscale modeling
    of texture effects on pitting corrosion of iron. <i>Materials Today Communications</i>,
    <i>43</i>. <a href="https://doi.org/10.1016/j.mtcomm.2025.111761">https://doi.org/10.1016/j.mtcomm.2025.111761</a>
  bibtex: '@article{Jamebozorgi_Rasim_Schröder_2025, title={Multiscale modeling of
    texture effects on pitting corrosion of iron}, volume={43}, DOI={<a href="https://doi.org/10.1016/j.mtcomm.2025.111761">10.1016/j.mtcomm.2025.111761</a>},
    number={111761}, journal={Materials Today Communications}, publisher={Elsevier
    BV}, author={Jamebozorgi, Vahid and Rasim, Karsten and Schröder, Christian}, year={2025}
    }'
  chicago: Jamebozorgi, Vahid, Karsten Rasim, and Christian Schröder. “Multiscale
    Modeling of Texture Effects on Pitting Corrosion of Iron.” <i>Materials Today
    Communications</i> 43 (2025). <a href="https://doi.org/10.1016/j.mtcomm.2025.111761">https://doi.org/10.1016/j.mtcomm.2025.111761</a>.
  ieee: V. Jamebozorgi, K. Rasim, and C. Schröder, “Multiscale modeling of texture
    effects on pitting corrosion of iron,” <i>Materials Today Communications</i>,
    vol. 43, 2025.
  mla: Jamebozorgi, Vahid, et al. “Multiscale Modeling of Texture Effects on Pitting
    Corrosion of Iron.” <i>Materials Today Communications</i>, vol. 43, 111761, Elsevier
    BV, 2025, doi:<a href="https://doi.org/10.1016/j.mtcomm.2025.111761">10.1016/j.mtcomm.2025.111761</a>.
  short: V. Jamebozorgi, K. Rasim, C. Schröder, Materials Today Communications 43
    (2025).
date_created: 2025-01-29T14:16:42Z
date_updated: 2026-03-17T15:29:18Z
department:
- _id: '103'
doi: 10.1016/j.mtcomm.2025.111761
intvolume: '        43'
language:
- iso: eng
main_file_link:
- open_access: '1'
oa: '1'
project:
- _id: f89a05bb-bcea-11ed-9442-ed382659bc06
  name: Bielefelder Institut für Angewandte Materialforschung
publication: Materials Today Communications
publication_identifier:
  issn:
  - 2352-4928
publication_status: published
publisher: Elsevier BV
quality_controlled: '1'
status: public
title: Multiscale modeling of texture effects on pitting corrosion of iron
type: journal_article
user_id: '35809'
volume: 43
year: '2025'
...
---
_id: '5171'
author:
- first_name: Vahid
  full_name: Jamebozorgi, Vahid
  id: '242086'
  last_name: Jamebozorgi
  orcid: 0009-0005-5700-3549
- first_name: Karsten
  full_name: Rasim, Karsten
  last_name: Rasim
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/173536031
citation:
  alphadin: '<span style="font-variant:small-caps;">Jamebozorgi, Vahid</span> ; <span
    style="font-variant:small-caps;">Rasim, Karsten</span> ; <span style="font-variant:small-caps;">Schröder,
    Christian</span>: Computational chemistry analysis of passive layer formation
    and breakdown mechanisms in ferritic stainless steels. In: <i>Verhandlungen der
    Deutschen Physikalischen Gesellschaft</i>, 2024'
  ama: 'Jamebozorgi V, Rasim K, Schröder C. Computational chemistry analysis of passive
    layer formation and breakdown mechanisms in ferritic stainless steels. In: <i>Verhandlungen
    Der Deutschen Physikalischen Gesellschaft</i>. ; 2024.'
  apa: Jamebozorgi, V., Rasim, K., &#38; Schröder, C. (2024). Computational chemistry
    analysis of passive layer formation and breakdown mechanisms in ferritic stainless
    steels. In <i>Verhandlungen der Deutschen Physikalischen Gesellschaft</i>. Berlin.
  bibtex: '@inproceedings{Jamebozorgi_Rasim_Schröder_2024, title={Computational chemistry
    analysis of passive layer formation and breakdown mechanisms in ferritic stainless
    steels}, booktitle={Verhandlungen der Deutschen Physikalischen Gesellschaft},
    author={Jamebozorgi, Vahid and Rasim, Karsten and Schröder, Christian}, year={2024}
    }'
  chicago: Jamebozorgi, Vahid, Karsten Rasim, and Christian Schröder. “Computational
    Chemistry Analysis of Passive Layer Formation and Breakdown Mechanisms in Ferritic
    Stainless Steels.” In <i>Verhandlungen Der Deutschen Physikalischen Gesellschaft</i>,
    2024.
  ieee: V. Jamebozorgi, K. Rasim, and C. Schröder, “Computational chemistry analysis
    of passive layer formation and breakdown mechanisms in ferritic stainless steels,”
    in <i>Verhandlungen der Deutschen Physikalischen Gesellschaft</i>, Berlin, 2024.
  mla: Jamebozorgi, Vahid, et al. “Computational Chemistry Analysis of Passive Layer
    Formation and Breakdown Mechanisms in Ferritic Stainless Steels.” <i>Verhandlungen
    Der Deutschen Physikalischen Gesellschaft</i>, 2024.
  short: 'V. Jamebozorgi, K. Rasim, C. Schröder, in: Verhandlungen Der Deutschen Physikalischen
    Gesellschaft, 2024.'
conference:
  end_date: 2024-03-22
  location: Berlin
  name: Frühjahrstagung der DPG
  start_date: 2024-03-17
date_created: 2024-12-11T08:53:34Z
date_updated: 2026-03-17T15:29:14Z
department:
- _id: '103'
language:
- iso: eng
project:
- _id: f89a05bb-bcea-11ed-9442-ed382659bc06
  name: Bielefelder Institut für Angewandte Materialforschung
publication: Verhandlungen der Deutschen Physikalischen Gesellschaft
related_material:
  link:
  - relation: confirmation
    url: https://www.dpg-verhandlungen.de/year/2024/conference/berlin/part/o/session/96/contribution/11
research_group:
- _id: af778127-b366-11ed-bde2-daed2b8eafee
  name: Bielefelder Institut für Angewandte Materialforschung (BIfAM)
status: public
title: Computational chemistry analysis of passive layer formation and breakdown mechanisms
  in ferritic stainless steels
type: conference
user_id: '249224'
year: '2024'
...
---
_id: '5172'
author:
- first_name: Simon
  full_name: Bekemeier, Simon
  id: '211588'
  last_name: Bekemeier
  orcid: 0000-0001-8736-8796
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0001-8736-8796/work/204905071
- first_name: Moritz
  full_name: Blum, Moritz
  last_name: Blum
- first_name: Luana
  full_name: Caron, Luana
  last_name: Caron
- first_name: Alisa
  full_name: Chirkova, Alisa
  last_name: Chirkova
- first_name: Philip
  full_name: Cimiano, Philip
  last_name: Cimiano
- first_name: Basil
  full_name: Ell, Basil
  last_name: Ell
- first_name: Inga
  full_name: Ennen, Inga
  last_name: Ennen
- first_name: Michael
  full_name: Feige, Michael
  last_name: Feige
- first_name: Thomas
  full_name: Hilbig, Thomas
  last_name: Hilbig
- first_name: Andreas
  full_name: Hütten, Andreas
  last_name: Hütten
- first_name: Günter
  full_name: Reiss, Günter
  last_name: Reiss
- first_name: Tapas
  full_name: Samanta, Tapas
  last_name: Samanta
- first_name: Sonja
  full_name: Schöning, Sonja
  id: '202389'
  last_name: Schöning
  orcid: 0000-0002-5503-2128
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-5503-2128/work/173542712
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/173542714
- first_name: Martin
  full_name: Wortmann, Martin
  last_name: Wortmann
citation:
  alphadin: '<span style="font-variant:small-caps;"><span style="font-variant:small-caps;">Bekemeier,
    Simon</span> ; <span style="font-variant:small-caps;">Blum, Moritz</span> ; <span
    style="font-variant:small-caps;">Caron, Luana</span> ; <span style="font-variant:small-caps;">Chirkova,
    Alisa</span> ; <span style="font-variant:small-caps;">Cimiano, Philip</span> ;
    <span style="font-variant:small-caps;">Ell, Basil</span> ; <span style="font-variant:small-caps;">Ennen,
    Inga</span> ; <span style="font-variant:small-caps;">Feige, Michael</span> ; u. a.</span>:
    Implementation of Experimental Results in an Ontology of Magnetocaloric Materials
    Research. In: <span style="font-variant:small-caps;">Deutsche Physikalische Gesellschaft
    e.V.</span> (Hrsg.): <i>Verhandlungen der Deutschen Physikalischen Gesellschaft</i>,
    2024'
  ama: 'Bekemeier S, Blum M, Caron L, et al. Implementation of Experimental Results
    in an Ontology of Magnetocaloric Materials Research. In: Deutsche Physikalische
    Gesellschaft e.V., ed. <i>Verhandlungen Der Deutschen Physikalischen Gesellschaft</i>.
    ; 2024.'
  apa: Bekemeier, S., Blum, M., Caron, L., Chirkova, A., Cimiano, P., Ell, B., … Wortmann,
    M. (2024). Implementation of Experimental Results in an Ontology of Magnetocaloric
    Materials Research. In Deutsche Physikalische Gesellschaft e.V. (Ed.), <i>Verhandlungen
    der Deutschen Physikalischen Gesellschaft</i>. Berlin.
  bibtex: '@inproceedings{Bekemeier_Blum_Caron_Chirkova_Cimiano_Ell_Ennen_Feige_Hilbig_Hütten_et
    al._2024, title={Implementation of Experimental Results in an Ontology of Magnetocaloric
    Materials Research}, booktitle={Verhandlungen der Deutschen Physikalischen Gesellschaft},
    author={Bekemeier, Simon and Blum, Moritz and Caron, Luana and Chirkova, Alisa
    and Cimiano, Philip and Ell, Basil and Ennen, Inga and Feige, Michael and Hilbig,
    Thomas and Hütten, Andreas and et al.}, editor={Deutsche Physikalische Gesellschaft
    e.V.Editor}, year={2024} }'
  chicago: Bekemeier, Simon, Moritz Blum, Luana Caron, Alisa Chirkova, Philip Cimiano,
    Basil Ell, Inga Ennen, et al. “Implementation of Experimental Results in an Ontology
    of Magnetocaloric Materials Research.” In <i>Verhandlungen Der Deutschen Physikalischen
    Gesellschaft</i>, edited by Deutsche Physikalische Gesellschaft e.V., 2024.
  ieee: S. Bekemeier <i>et al.</i>, “Implementation of Experimental Results in an
    Ontology of Magnetocaloric Materials Research,” in <i>Verhandlungen der Deutschen
    Physikalischen Gesellschaft</i>, Berlin, 2024.
  mla: Bekemeier, Simon, et al. “Implementation of Experimental Results in an Ontology
    of Magnetocaloric Materials Research.” <i>Verhandlungen Der Deutschen Physikalischen
    Gesellschaft</i>, edited by Deutsche Physikalische Gesellschaft e.V., 2024.
  short: 'S. Bekemeier, M. Blum, L. Caron, A. Chirkova, P. Cimiano, B. Ell, I. Ennen,
    M. Feige, T. Hilbig, A. Hütten, G. Reiss, T. Samanta, S. Schöning, C. Schröder,
    M. Wortmann, in: Deutsche Physikalische Gesellschaft e.V. (Ed.), Verhandlungen
    Der Deutschen Physikalischen Gesellschaft, 2024.'
conference:
  end_date: 2024-03-22
  location: Berlin
  name: DPG-Verhandlungen
  start_date: 2024-03-17
corporate_editor:
- Deutsche Physikalische Gesellschaft e.V.
date_created: 2024-12-11T10:44:24Z
date_updated: 2026-03-17T15:29:14Z
department:
- _id: '103'
- _id: '103'
language:
- iso: eng
project:
- _id: f89a05bb-bcea-11ed-9442-ed382659bc06
  name: Bielefelder Institut für Angewandte Materialforschung
publication: Verhandlungen der Deutschen Physikalischen Gesellschaft
related_material:
  link:
  - relation: confirmation
    url: https://www.dpg-verhandlungen.de/year/2024/conference/berlin/part/mm/session/17/contribution/1
research_group:
- _id: af778127-b366-11ed-bde2-daed2b8eafee
  name: Bielefelder Institut für Angewandte Materialforschung (BIfAM)
status: public
title: Implementation of Experimental Results in an Ontology of Magnetocaloric Materials
  Research
type: conference_abstract
user_id: '35809'
year: '2024'
...
---
_id: '4739'
alternative_id:
- '5419'
article_number: '112194'
article_type: original
author:
- first_name: Vahid
  full_name: Jamebozorgi, Vahid
  id: '242086'
  last_name: Jamebozorgi
  orcid: 0009-0005-5700-3549
- first_name: Karsten
  full_name: Rasim, Karsten
  last_name: Rasim
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/162556463
citation:
  alphadin: '<span style="font-variant:small-caps;">Jamebozorgi, Vahid</span> ; <span
    style="font-variant:small-caps;">Rasim, Karsten</span> ; <span style="font-variant:small-caps;">Schröder,
    Christian</span>: Computational chemistry analysis of passive layer formation
    and breakdown mechanisms in ferritic stainless steels. In: <i>Corrosion Science</i>
    Bd. 235, Elsevier BV (2024)'
  ama: Jamebozorgi V, Rasim K, Schröder C. Computational chemistry analysis of passive
    layer formation and breakdown mechanisms in ferritic stainless steels. <i>Corrosion
    Science</i>. 2024;235. doi:<a href="https://doi.org/10.1016/j.corsci.2024.112194">10.1016/j.corsci.2024.112194</a>
  apa: Jamebozorgi, V., Rasim, K., &#38; Schröder, C. (2024). Computational chemistry
    analysis of passive layer formation and breakdown mechanisms in ferritic stainless
    steels. <i>Corrosion Science</i>, <i>235</i>. <a href="https://doi.org/10.1016/j.corsci.2024.112194">https://doi.org/10.1016/j.corsci.2024.112194</a>
  bibtex: '@article{Jamebozorgi_Rasim_Schröder_2024, title={Computational chemistry
    analysis of passive layer formation and breakdown mechanisms in ferritic stainless
    steels}, volume={235}, DOI={<a href="https://doi.org/10.1016/j.corsci.2024.112194">10.1016/j.corsci.2024.112194</a>},
    number={112194}, journal={Corrosion Science}, publisher={Elsevier BV}, author={Jamebozorgi,
    Vahid and Rasim, Karsten and Schröder, Christian}, year={2024} }'
  chicago: Jamebozorgi, Vahid, Karsten Rasim, and Christian Schröder. “Computational
    Chemistry Analysis of Passive Layer Formation and Breakdown Mechanisms in Ferritic
    Stainless Steels.” <i>Corrosion Science</i> 235 (2024). <a href="https://doi.org/10.1016/j.corsci.2024.112194">https://doi.org/10.1016/j.corsci.2024.112194</a>.
  ieee: V. Jamebozorgi, K. Rasim, and C. Schröder, “Computational chemistry analysis
    of passive layer formation and breakdown mechanisms in ferritic stainless steels,”
    <i>Corrosion Science</i>, vol. 235, 2024.
  mla: Jamebozorgi, Vahid, et al. “Computational Chemistry Analysis of Passive Layer
    Formation and Breakdown Mechanisms in Ferritic Stainless Steels.” <i>Corrosion
    Science</i>, vol. 235, 112194, Elsevier BV, 2024, doi:<a href="https://doi.org/10.1016/j.corsci.2024.112194">10.1016/j.corsci.2024.112194</a>.
  short: V. Jamebozorgi, K. Rasim, C. Schröder, Corrosion Science 235 (2024).
date_created: 2024-06-28T15:51:43Z
date_updated: 2026-03-17T15:29:05Z
department:
- _id: '103'
doi: 10.1016/j.corsci.2024.112194
intvolume: '       235'
language:
- iso: eng
main_file_link:
- open_access: '1'
oa: '1'
project:
- _id: f89a05bb-bcea-11ed-9442-ed382659bc06
  name: Bielefelder Institut für Angewandte Materialforschung
publication: Corrosion Science
publication_identifier:
  issn:
  - 0010-938X
publication_status: published
publisher: Elsevier BV
quality_controlled: '1'
research_group:
- _id: af778127-b366-11ed-bde2-daed2b8eafee
  name: Bielefelder Institut für Angewandte Materialforschung (BIfAM)
status: public
title: Computational chemistry analysis of passive layer formation and breakdown mechanisms
  in ferritic stainless steels
type: journal_article
user_id: '35809'
volume: 235
year: '2024'
...
---
_id: '2760'
author:
- first_name: Vahid
  full_name: Jamebozorgi, Vahid
  id: '242086'
  last_name: Jamebozorgi
  orcid: 0009-0005-5700-3549
- first_name: Karsten
  full_name: Rasim, Karsten
  last_name: Rasim
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/176970289
citation:
  alphadin: '<span style="font-variant:small-caps;">Jamebozorgi, Vahid</span> ; <span
    style="font-variant:small-caps;">Rasim, Karsten</span> ; <span style="font-variant:small-caps;">Schröder,
    Christian</span>: Multiscale modeling and simulation of texture effects on the
    corrosion of stainless steel in aqueous media. In: <i>Verhandlungen der Deutschen
    Physikalischen Gesellschaft</i>, 2023'
  ama: 'Jamebozorgi V, Rasim K, Schröder C. Multiscale modeling and simulation of
    texture effects on the corrosion of stainless steel in aqueous media. In: <i>Verhandlungen
    Der Deutschen Physikalischen Gesellschaft</i>. ; 2023.'
  apa: Jamebozorgi, V., Rasim, K., &#38; Schröder, C. (2023). Multiscale modeling
    and simulation of texture effects on the corrosion of stainless steel in aqueous
    media. In <i>Verhandlungen der Deutschen Physikalischen Gesellschaft</i>. Dresden.
  bibtex: '@inproceedings{Jamebozorgi_Rasim_Schröder_2023, title={Multiscale modeling
    and simulation of texture effects on the corrosion of stainless steel in aqueous
    media}, booktitle={Verhandlungen der Deutschen Physikalischen Gesellschaft}, author={Jamebozorgi,
    Vahid and Rasim, Karsten and Schröder, Christian}, year={2023} }'
  chicago: Jamebozorgi, Vahid, Karsten Rasim, and Christian Schröder. “Multiscale
    Modeling and Simulation of Texture Effects on the Corrosion of Stainless Steel
    in Aqueous Media.” In <i>Verhandlungen Der Deutschen Physikalischen Gesellschaft</i>,
    2023.
  ieee: V. Jamebozorgi, K. Rasim, and C. Schröder, “Multiscale modeling and simulation
    of texture effects on the corrosion of stainless steel in aqueous media,” in <i>Verhandlungen
    der Deutschen Physikalischen Gesellschaft</i>, Dresden, 2023.
  mla: Jamebozorgi, Vahid, et al. “Multiscale Modeling and Simulation of Texture Effects
    on the Corrosion of Stainless Steel in Aqueous Media.” <i>Verhandlungen Der Deutschen
    Physikalischen Gesellschaft</i>, 2023.
  short: 'V. Jamebozorgi, K. Rasim, C. Schröder, in: Verhandlungen Der Deutschen Physikalischen
    Gesellschaft, 2023.'
conference:
  end_date: 31.03.2023
  location: Dresden
  name: Frühjahrstagung der Deutschen Physikalischen Gesellschaft
  start_date: 26.03.2023
date_created: 2023-04-14T12:22:01Z
date_updated: 2026-08-24T16:14:23Z
department:
- _id: '103'
language:
- iso: eng
project:
- _id: f89a05bb-bcea-11ed-9442-ed382659bc06
  name: Bielefelder Institut für Angewandte Materialforschung
publication: Verhandlungen der Deutschen Physikalischen Gesellschaft
research_group:
- _id: af778127-b366-11ed-bde2-daed2b8eafee
  name: Bielefelder Institut für Angewandte Materialforschung (BIfAM)
status: public
title: Multiscale modeling and simulation of texture effects on the corrosion of stainless
  steel in aqueous media
type: conference_abstract
user_id: '242086'
year: '2023'
...
---
_id: '2731'
article_number: '16'
author:
- first_name: Heinz-Jürgen
  full_name: Schmidt, Heinz-Jürgen
  last_name: Schmidt
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/204905167
citation:
  alphadin: '<span style="font-variant:small-caps;">Schmidt, Heinz-Jürgen</span> ;
    <span style="font-variant:small-caps;">Schröder, Christian</span>: Thermodynamics
    of the Spin Square. In: <i>Few-Body Systems</i> Bd. 64, Springer Science and Business
    Media LLC (2023), Nr. 2'
  ama: Schmidt H-J, Schröder C. Thermodynamics of the Spin Square. <i>Few-Body Systems</i>.
    2023;64(2). doi:<a href="https://doi.org/10.1007/s00601-023-01797-x">10.1007/s00601-023-01797-x</a>
  apa: Schmidt, H.-J., &#38; Schröder, C. (2023). Thermodynamics of the Spin Square.
    <i>Few-Body Systems</i>, <i>64</i>(2). <a href="https://doi.org/10.1007/s00601-023-01797-x">https://doi.org/10.1007/s00601-023-01797-x</a>
  bibtex: '@article{Schmidt_Schröder_2023, title={Thermodynamics of the Spin Square},
    volume={64}, DOI={<a href="https://doi.org/10.1007/s00601-023-01797-x">10.1007/s00601-023-01797-x</a>},
    number={216}, journal={Few-Body Systems}, publisher={Springer Science and Business
    Media LLC}, author={Schmidt, Heinz-Jürgen and Schröder, Christian}, year={2023}
    }'
  chicago: Schmidt, Heinz-Jürgen, and Christian Schröder. “Thermodynamics of the Spin
    Square.” <i>Few-Body Systems</i> 64, no. 2 (2023). <a href="https://doi.org/10.1007/s00601-023-01797-x">https://doi.org/10.1007/s00601-023-01797-x</a>.
  ieee: H.-J. Schmidt and C. Schröder, “Thermodynamics of the Spin Square,” <i>Few-Body
    Systems</i>, vol. 64, no. 2, 2023.
  mla: Schmidt, Heinz-Jürgen, and Christian Schröder. “Thermodynamics of the Spin
    Square.” <i>Few-Body Systems</i>, vol. 64, no. 2, 16, Springer Science and Business
    Media LLC, 2023, doi:<a href="https://doi.org/10.1007/s00601-023-01797-x">10.1007/s00601-023-01797-x</a>.
  short: H.-J. Schmidt, C. Schröder, Few-Body Systems 64 (2023).
date_created: 2023-04-11T12:06:22Z
date_updated: 2026-06-03T14:08:34Z
doi: 10.1007/s00601-023-01797-x
intvolume: '        64'
issue: '2'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.1007/s00601-023-01797-x
oa: '1'
project:
- _id: f89a05bb-bcea-11ed-9442-ed382659bc06
  name: Bielefelder Institut für Angewandte Materialforschung
publication: Few-Body Systems
publication_identifier:
  eissn:
  - 1432-5411
publication_status: published
publisher: Springer Science and Business Media LLC
quality_controlled: '1'
status: public
title: Thermodynamics of the Spin Square
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: journal_article
user_id: '250307'
volume: 64
year: '2023'
...
---
_id: '3732'
author:
- first_name: Vahid
  full_name: Jamebozorgi, Vahid
  id: '242086'
  last_name: Jamebozorgi
  orcid: 0009-0005-5700-3549
- first_name: Karsten
  full_name: Rasim, Karsten
  last_name: Rasim
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/176882040
citation:
  alphadin: '<span style="font-variant:small-caps;">Jamebozorgi, Vahid</span> ; <span
    style="font-variant:small-caps;">Rasim, Karsten</span> ; <span style="font-variant:small-caps;">Schröder,
    Christian</span>: Quantum chemical insight to passive layer formation and breakdown
    mechanisms in ferritic stainless steels. In: <i>FEMS EUROMAT 23 : book of abstracts</i>,
    2023'
  ama: 'Jamebozorgi V, Rasim K, Schröder C. Quantum chemical insight to passive layer
    formation and breakdown mechanisms in ferritic stainless steels. In: <i>FEMS EUROMAT
    23 : Book of Abstracts</i>. ; 2023.'
  apa: 'Jamebozorgi, V., Rasim, K., &#38; Schröder, C. (2023). Quantum chemical insight
    to passive layer formation and breakdown mechanisms in ferritic stainless steels.
    In <i>FEMS EUROMAT 23 : book of abstracts</i>. Frankfurt am Main.'
  bibtex: '@inproceedings{Jamebozorgi_Rasim_Schröder_2023, title={Quantum chemical
    insight to passive layer formation and breakdown mechanisms in ferritic stainless
    steels}, booktitle={FEMS EUROMAT 23 : book of abstracts}, author={Jamebozorgi,
    Vahid and Rasim, Karsten and Schröder, Christian}, year={2023} }'
  chicago: 'Jamebozorgi, Vahid, Karsten Rasim, and Christian Schröder. “Quantum Chemical
    Insight to Passive Layer Formation and Breakdown Mechanisms in Ferritic Stainless
    Steels.” In <i>FEMS EUROMAT 23 : Book of Abstracts</i>, 2023.'
  ieee: 'V. Jamebozorgi, K. Rasim, and C. Schröder, “Quantum chemical insight to passive
    layer formation and breakdown mechanisms in ferritic stainless steels,” in <i>FEMS
    EUROMAT 23 : book of abstracts</i>, Frankfurt am Main, 2023.'
  mla: 'Jamebozorgi, Vahid, et al. “Quantum Chemical Insight to Passive Layer Formation
    and Breakdown Mechanisms in Ferritic Stainless Steels.” <i>FEMS EUROMAT 23 : Book
    of Abstracts</i>, 2023.'
  short: 'V. Jamebozorgi, K. Rasim, C. Schröder, in: FEMS EUROMAT 23 : Book of Abstracts,
    2023.'
conference:
  end_date: 07.09.2023
  location: Frankfurt am Main
  name: FEMS EUROMAT 2023
  start_date: 03.09.2023
date_created: 2023-11-17T15:26:22Z
date_updated: 2026-03-17T15:28:49Z
language:
- iso: eng
project:
- _id: f89a05bb-bcea-11ed-9442-ed382659bc06
  name: Bielefelder Institut für Angewandte Materialforschung
publication: 'FEMS EUROMAT 23 : book of abstracts'
publication_identifier:
  isbn:
  - 978-3-88355-434-1
research_group:
- _id: af778127-b366-11ed-bde2-daed2b8eafee
  name: Bielefelder Institut für Angewandte Materialforschung (BIfAM)
status: public
title: Quantum chemical insight to passive layer formation and breakdown mechanisms
  in ferritic stainless steels
type: conference_abstract
user_id: '35809'
year: '2023'
...
---
_id: '3739'
author:
- first_name: Simon
  full_name: Bekemeier, Simon
  last_name: Bekemeier
- first_name: Thomas
  full_name: Hilbig, Thomas
  last_name: Hilbig
- first_name: Sascha
  full_name: Nickel, Sascha
  last_name: Nickel
- first_name: Onur
  full_name: Yaman, Onur
  last_name: Yaman
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/176898228
citation:
  alphadin: '<span style="font-variant:small-caps;">Bekemeier, Simon</span> ; <span
    style="font-variant:small-caps;">Hilbig, Thomas</span> ; <span style="font-variant:small-caps;">Nickel,
    Sascha</span> ; <span style="font-variant:small-caps;">Yaman, Onur</span> ; <span
    style="font-variant:small-caps;">Schröder, Christian</span>: Accelerating Knowledge
    Generation and Materials Discovery through Automated Digitalization Workflows.
    In: <i>FEMS EUROMAT 23 : book of abstracts</i>, 2023'
  ama: 'Bekemeier S, Hilbig T, Nickel S, Yaman O, Schröder C. Accelerating Knowledge
    Generation and Materials Discovery through Automated Digitalization Workflows.
    In: <i>FEMS EUROMAT 23 : Book of Abstracts</i>. ; 2023.'
  apa: 'Bekemeier, S., Hilbig, T., Nickel, S., Yaman, O., &#38; Schröder, C. (2023).
    Accelerating Knowledge Generation and Materials Discovery through Automated Digitalization
    Workflows. In <i>FEMS EUROMAT 23 : book of abstracts</i>. Frankfurt am Main.'
  bibtex: '@inproceedings{Bekemeier_Hilbig_Nickel_Yaman_Schröder_2023, title={Accelerating
    Knowledge Generation and Materials Discovery through Automated Digitalization
    Workflows}, booktitle={FEMS EUROMAT 23 : book of abstracts}, author={Bekemeier,
    Simon and Hilbig, Thomas and Nickel, Sascha and Yaman, Onur and Schröder, Christian},
    year={2023} }'
  chicago: 'Bekemeier, Simon, Thomas Hilbig, Sascha Nickel, Onur Yaman, and Christian
    Schröder. “Accelerating Knowledge Generation and Materials Discovery through Automated
    Digitalization Workflows.” In <i>FEMS EUROMAT 23 : Book of Abstracts</i>, 2023.'
  ieee: 'S. Bekemeier, T. Hilbig, S. Nickel, O. Yaman, and C. Schröder, “Accelerating
    Knowledge Generation and Materials Discovery through Automated Digitalization
    Workflows,” in <i>FEMS EUROMAT 23 : book of abstracts</i>, Frankfurt am Main,
    2023.'
  mla: 'Bekemeier, Simon, et al. “Accelerating Knowledge Generation and Materials
    Discovery through Automated Digitalization Workflows.” <i>FEMS EUROMAT 23 : Book
    of Abstracts</i>, 2023.'
  short: 'S. Bekemeier, T. Hilbig, S. Nickel, O. Yaman, C. Schröder, in: FEMS EUROMAT
    23 : Book of Abstracts, 2023.'
conference:
  end_date: 07.09.2023
  location: Frankfurt am Main
  name: FEMS EUROMAT 2023
  start_date: 03.09.2023
date_created: 2023-11-17T15:34:00Z
date_updated: 2026-03-17T15:28:49Z
department:
- _id: '103'
language:
- iso: eng
project:
- _id: f89a05bb-bcea-11ed-9442-ed382659bc06
  name: Bielefelder Institut für Angewandte Materialforschung
publication: 'FEMS EUROMAT 23 : book of abstracts'
publication_identifier:
  isbn:
  - 978-3-88355-434-1
related_material:
  link:
  - relation: confirmation
    url: https://www.researchgate.net/publication/374263977_Accelerating_Knowledge_Generation_and_Materials_Discovery_through_Automated_Digitalization_Workflows
research_group:
- _id: af778127-b366-11ed-bde2-daed2b8eafee
  name: Bielefelder Institut für Angewandte Materialforschung (BIfAM)
status: public
title: Accelerating Knowledge Generation and Materials Discovery through Automated
  Digitalization Workflows
type: conference_abstract
user_id: '35809'
year: '2023'
...
---
_id: '2758'
author:
- first_name: Simon
  full_name: Bekemeier, Simon
  last_name: Bekemeier
- first_name: Moritz
  full_name: Blum, Moritz
  last_name: Blum
- first_name: Luana
  full_name: Caron, Luana
  last_name: Caron
- first_name: Philipp
  full_name: Cimiano, Philipp
  last_name: Cimiano
- first_name: Basil
  full_name: Ell, Basil
  last_name: Ell
- first_name: Inga
  full_name: Ennen, Inga
  last_name: Ennen
- first_name: Michael
  full_name: Feige, Michael
  last_name: Feige
- first_name: Thomas
  full_name: Hilbig, Thomas
  last_name: Hilbig
- first_name: Andreas
  full_name: Hütten, Andreas
  last_name: Hütten
- first_name: Günter
  full_name: Reiss, Günter
  last_name: Reiss
- first_name: Tapas
  full_name: Samanta, Tapas
  last_name: Samanta
- first_name: Sonja
  full_name: Schöning, Sonja
  id: '202389'
  last_name: Schöning
  orcid: 0000-0002-5503-2128
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/204905189
- first_name: Lennart
  full_name: Schwan, Lennart
  last_name: Schwan
- first_name: Martin
  full_name: Wortmann, Martin
  last_name: Wortmann
citation:
  alphadin: '<span style="font-variant:small-caps;"><span style="font-variant:small-caps;">Bekemeier,
    Simon</span> ; <span style="font-variant:small-caps;">Blum, Moritz</span> ; <span
    style="font-variant:small-caps;">Caron, Luana</span> ; <span style="font-variant:small-caps;">Cimiano,
    Philipp</span> ; <span style="font-variant:small-caps;">Ell, Basil</span> ; <span
    style="font-variant:small-caps;">Ennen, Inga</span> ; <span style="font-variant:small-caps;">Feige,
    Michael</span> ; <span style="font-variant:small-caps;">Hilbig, Thomas</span>
    ; u. a.</span>: An Ontology of Magnetocaloric Materials Research. In: <i>Verhandlungen
    der Deutschen Physikalischen Gesellschaft</i>, 2023'
  ama: 'Bekemeier S, Blum M, Caron L, et al. An Ontology of Magnetocaloric Materials
    Research. In: <i>Verhandlungen Der Deutschen Physikalischen Gesellschaft</i>.
    ; 2023.'
  apa: Bekemeier, S., Blum, M., Caron, L., Cimiano, P., Ell, B., Ennen, I., … Wortmann,
    M. (2023). An Ontology of Magnetocaloric Materials Research. In <i>Verhandlungen
    der Deutschen Physikalischen Gesellschaft</i>. Dresden.
  bibtex: '@inproceedings{Bekemeier_Blum_Caron_Cimiano_Ell_Ennen_Feige_Hilbig_Hütten_Reiss_et
    al._2023, title={An Ontology of Magnetocaloric Materials Research}, booktitle={Verhandlungen
    der Deutschen Physikalischen Gesellschaft}, author={Bekemeier, Simon and Blum,
    Moritz and Caron, Luana and Cimiano, Philipp and Ell, Basil and Ennen, Inga and
    Feige, Michael and Hilbig, Thomas and Hütten, Andreas and Reiss, Günter and et
    al.}, year={2023} }'
  chicago: Bekemeier, Simon, Moritz Blum, Luana Caron, Philipp Cimiano, Basil Ell,
    Inga Ennen, Michael Feige, et al. “An Ontology of Magnetocaloric Materials Research.”
    In <i>Verhandlungen Der Deutschen Physikalischen Gesellschaft</i>, 2023.
  ieee: S. Bekemeier <i>et al.</i>, “An Ontology of Magnetocaloric Materials Research,”
    in <i>Verhandlungen der Deutschen Physikalischen Gesellschaft</i>, Dresden, 2023.
  mla: Bekemeier, Simon, et al. “An Ontology of Magnetocaloric Materials Research.”
    <i>Verhandlungen Der Deutschen Physikalischen Gesellschaft</i>, 2023.
  short: 'S. Bekemeier, M. Blum, L. Caron, P. Cimiano, B. Ell, I. Ennen, M. Feige,
    T. Hilbig, A. Hütten, G. Reiss, T. Samanta, S. Schöning, C. Schröder, L. Schwan,
    M. Wortmann, in: Verhandlungen Der Deutschen Physikalischen Gesellschaft, 2023.'
conference:
  end_date: 31.03.2023
  location: Dresden
  name: Frühjahrstagung der Deutschen Physikalischen Gesellschaft
  start_date: 26.03.2023
date_created: 2023-04-14T12:15:33Z
date_updated: 2026-03-17T15:28:36Z
department:
- _id: '103'
language:
- iso: eng
project:
- _id: f89a05bb-bcea-11ed-9442-ed382659bc06
  name: Bielefelder Institut für Angewandte Materialforschung
publication: Verhandlungen der Deutschen Physikalischen Gesellschaft
status: public
title: An Ontology of Magnetocaloric Materials Research
type: conference_abstract
user_id: '35809'
year: '2023'
...
---
_id: '2759'
author:
- first_name: Simon
  full_name: Bekemeier, Simon
  id: '211588'
  last_name: Bekemeier
  orcid: 0000-0001-8736-8796
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0001-8736-8796/work/181903667
- first_name: Alisa
  full_name: Chirkova, Alisa
  last_name: Chirkova
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/181737352
citation:
  alphadin: '<span style="font-variant:small-caps;">Bekemeier, Simon</span> ; <span
    style="font-variant:small-caps;">Chirkova, Alisa</span> ; <span style="font-variant:small-caps;">Schröder,
    Christian</span>: A high-level workflow-based approach towards the exploration
    of magnetocaloric Heusler alloys by automated high-throughput simulations. In:
    <span style="font-variant:small-caps;">DPG</span> (Hrsg.): <i>Verhandlungen der
    Deutschen Physikalischen Gesellschaft</i>, 2023'
  ama: 'Bekemeier S, Chirkova A, Schröder C. A high-level workflow-based approach
    towards the exploration of magnetocaloric Heusler alloys by automated high-throughput
    simulations. In: DPG, ed. <i>Verhandlungen Der Deutschen Physikalischen Gesellschaft</i>.
    ; 2023.'
  apa: Bekemeier, S., Chirkova, A., &#38; Schröder, C. (2023). A high-level workflow-based
    approach towards the exploration of magnetocaloric Heusler alloys by automated
    high-throughput simulations. In DPG (Ed.), <i>Verhandlungen der Deutschen Physikalischen
    Gesellschaft</i>. Dresden .
  bibtex: '@inproceedings{Bekemeier_Chirkova_Schröder_2023, title={A high-level workflow-based
    approach towards the exploration of magnetocaloric Heusler alloys by automated
    high-throughput simulations}, booktitle={Verhandlungen der Deutschen Physikalischen
    Gesellschaft}, author={Bekemeier, Simon and Chirkova, Alisa and Schröder, Christian},
    editor={DPGEditor}, year={2023} }'
  chicago: Bekemeier, Simon, Alisa Chirkova, and Christian Schröder. “A High-Level
    Workflow-Based Approach towards the Exploration of Magnetocaloric Heusler Alloys
    by Automated High-Throughput Simulations.” In <i>Verhandlungen Der Deutschen Physikalischen
    Gesellschaft</i>, edited by DPG, 2023.
  ieee: S. Bekemeier, A. Chirkova, and C. Schröder, “A high-level workflow-based approach
    towards the exploration of magnetocaloric Heusler alloys by automated high-throughput
    simulations,” in <i>Verhandlungen der Deutschen Physikalischen Gesellschaft</i>,
    Dresden , 2023.
  mla: Bekemeier, Simon, et al. “A High-Level Workflow-Based Approach towards the
    Exploration of Magnetocaloric Heusler Alloys by Automated High-Throughput Simulations.”
    <i>Verhandlungen Der Deutschen Physikalischen Gesellschaft</i>, edited by DPG,
    2023.
  short: 'S. Bekemeier, A. Chirkova, C. Schröder, in: DPG (Ed.), Verhandlungen Der
    Deutschen Physikalischen Gesellschaft, 2023.'
conference:
  end_date: 2023-03-31
  location: 'Dresden '
  name: Frühjahrstagung der Deutschen Physikalischen Gesellschaft
  start_date: 2023-03-26
corporate_editor:
- DPG
date_created: 2023-04-14T12:19:24Z
date_updated: 2026-03-17T15:28:36Z
department:
- _id: '103'
language:
- iso: eng
project:
- _id: f89a05bb-bcea-11ed-9442-ed382659bc06
  name: Bielefelder Institut für Angewandte Materialforschung
publication: Verhandlungen der Deutschen Physikalischen Gesellschaft
publication_identifier:
  issn:
  - 2751-0522
research_group:
- _id: af778127-b366-11ed-bde2-daed2b8eafee
  name: Bielefelder Institut für Angewandte Materialforschung (BIfAM)
status: public
title: A high-level workflow-based approach towards the exploration of magnetocaloric
  Heusler alloys by automated high-throughput simulations
type: conference_abstract
user_id: '35809'
year: '2023'
...
---
_id: '5173'
author:
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/173543122
- first_name: Simon
  full_name: Bekemeier, Simon
  last_name: Bekemeier
- first_name: Moritz
  full_name: Blum, Moritz
  last_name: Blum
- first_name: Luana
  full_name: Caron, Luana
  last_name: Caron
- first_name: Philip
  full_name: Cimiano, Philip
  last_name: Cimiano
- first_name: Basil
  full_name: Ell, Basil
  last_name: Ell
- first_name: Inga
  full_name: Ennen, Inga
  last_name: Ennen
- first_name: Michael
  full_name: Feige, Michael
  last_name: Feige
- first_name: Thomas
  full_name: Hilbig, Thomas
  last_name: Hilbig
- first_name: Andreas
  full_name: Hütten, Andreas
  last_name: Hütten
- first_name: Günter
  full_name: Reiss, Günter
  last_name: Reiss
- first_name: Tapas
  full_name: Samanta, Tapas
  last_name: Samanta
- first_name: Sonja
  full_name: Schöning, Sonja
  id: '202389'
  last_name: Schöning
  orcid: 0000-0002-5503-2128
  orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-5503-2128/work/173543123
- first_name: Lennart
  full_name: Schwan, Lennart
  last_name: Schwan
- first_name: Martin
  full_name: Wortmann, Martin
  last_name: Wortmann
citation:
  alphadin: '<span style="font-variant:small-caps;"><span style="font-variant:small-caps;">Schröder,
    Christian</span> ; <span style="font-variant:small-caps;">Bekemeier, Simon</span>
    ; <span style="font-variant:small-caps;">Blum, Moritz</span> ; <span style="font-variant:small-caps;">Caron,
    Luana</span> ; <span style="font-variant:small-caps;">Cimiano, Philip</span> ;
    <span style="font-variant:small-caps;">Ell, Basil</span> ; <span style="font-variant:small-caps;">Ennen,
    Inga</span> ; <span style="font-variant:small-caps;">Feige, Michael</span> ; u. a.</span>:
    Digitization of a process chain for the production, characterization and prototypical
    application of magnetocaloric alloys. In: , 2022'
  ama: 'Schröder C, Bekemeier S, Blum M, et al. Digitization of a process chain for
    the production, characterization and prototypical application of magnetocaloric
    alloys. In: ; 2022.'
  apa: Schröder, C., Bekemeier, S., Blum, M., Caron, L., Cimiano, P., Ell, B., … Wortmann,
    M. (2022). Digitization of a process chain for the production, characterization
    and prototypical application of magnetocaloric alloys. Presented at the MSE Congress,
    Darmstadt.
  bibtex: '@inproceedings{Schröder_Bekemeier_Blum_Caron_Cimiano_Ell_Ennen_Feige_Hilbig_Hütten_et
    al._2022, title={Digitization of a process chain for the production, characterization
    and prototypical application of magnetocaloric alloys}, author={Schröder, Christian
    and Bekemeier, Simon and Blum, Moritz and Caron, Luana and Cimiano, Philip and
    Ell, Basil and Ennen, Inga and Feige, Michael and Hilbig, Thomas and Hütten, Andreas
    and et al.}, year={2022} }'
  chicago: Schröder, Christian, Simon Bekemeier, Moritz Blum, Luana Caron, Philip
    Cimiano, Basil Ell, Inga Ennen, et al. “Digitization of a Process Chain for the
    Production, Characterization and Prototypical Application of Magnetocaloric Alloys,”
    2022.
  ieee: C. Schröder <i>et al.</i>, “Digitization of a process chain for the production,
    characterization and prototypical application of magnetocaloric alloys,” presented
    at the MSE Congress, Darmstadt, 2022.
  mla: Schröder, Christian, et al. <i>Digitization of a Process Chain for the Production,
    Characterization and Prototypical Application of Magnetocaloric Alloys</i>. 2022.
  short: 'C. Schröder, S. Bekemeier, M. Blum, L. Caron, P. Cimiano, B. Ell, I. Ennen,
    M. Feige, T. Hilbig, A. Hütten, G. Reiss, T. Samanta, S. Schöning, L. Schwan,
    M. Wortmann, in: 2022.'
conference:
  end_date: 2024-09-26
  location: Darmstadt
  name: MSE Congress
  start_date: 2024-09-24
date_created: 2024-12-11T10:50:45Z
date_updated: 2026-03-17T15:29:14Z
department:
- _id: '103'
language:
- iso: eng
project:
- _id: f89a05bb-bcea-11ed-9442-ed382659bc06
  name: Bielefelder Institut für Angewandte Materialforschung
research_group:
- _id: af778127-b366-11ed-bde2-daed2b8eafee
  name: Bielefelder Institut für Angewandte Materialforschung (BIfAM)
status: public
title: Digitization of a process chain for the production, characterization and prototypical
  application of magnetocaloric alloys
type: conference
user_id: '220548'
year: '2022'
...
---
_id: '2156'
article_number: '463'
author:
- first_name: Fabian
  full_name: Deckers, Fabian
  last_name: Deckers
- first_name: Karsten
  full_name: Rasim, Karsten
  last_name: Rasim
- first_name: Christian
  full_name: Schröder, Christian
  id: '35809'
  last_name: Schröder
  orcid: 0000-0002-6391-6548
citation:
  alphadin: '<span style="font-variant:small-caps;">Deckers, Fabian</span> ; <span
    style="font-variant:small-caps;">Rasim, Karsten</span> ; <span style="font-variant:small-caps;">Schröder,
    Christian</span>: Molecular dynamics simulation of polypropylene: diffusion and
    sorption of H2O, H2O2, H2, O2 and determination of the glass transition temperature.
    In: <i>Journal of Polymer Research</i> Bd. 29, Springer Science and Business Media
    LLC (2022), Nr. 11'
  ama: 'Deckers F, Rasim K, Schröder C. Molecular dynamics simulation of polypropylene:
    diffusion and sorption of H2O, H2O2, H2, O2 and determination of the glass transition
    temperature. <i>Journal of Polymer Research</i>. 2022;29(11). doi:<a href="https://doi.org/10.1007/s10965-022-03304-y">10.1007/s10965-022-03304-y</a>'
  apa: 'Deckers, F., Rasim, K., &#38; Schröder, C. (2022). Molecular dynamics simulation
    of polypropylene: diffusion and sorption of H2O, H2O2, H2, O2 and determination
    of the glass transition temperature. <i>Journal of Polymer Research</i>, <i>29</i>(11).
    <a href="https://doi.org/10.1007/s10965-022-03304-y">https://doi.org/10.1007/s10965-022-03304-y</a>'
  bibtex: '@article{Deckers_Rasim_Schröder_2022, title={Molecular dynamics simulation
    of polypropylene: diffusion and sorption of H2O, H2O2, H2, O2 and determination
    of the glass transition temperature}, volume={29}, DOI={<a href="https://doi.org/10.1007/s10965-022-03304-y">10.1007/s10965-022-03304-y</a>},
    number={11463}, journal={Journal of Polymer Research}, publisher={Springer Science
    and Business Media LLC}, author={Deckers, Fabian and Rasim, Karsten and Schröder,
    Christian}, year={2022} }'
  chicago: 'Deckers, Fabian, Karsten Rasim, and Christian Schröder. “Molecular Dynamics
    Simulation of Polypropylene: Diffusion and Sorption of H2O, H2O2, H2, O2 and Determination
    of the Glass Transition Temperature.” <i>Journal of Polymer Research</i> 29, no.
    11 (2022). <a href="https://doi.org/10.1007/s10965-022-03304-y">https://doi.org/10.1007/s10965-022-03304-y</a>.'
  ieee: 'F. Deckers, K. Rasim, and C. Schröder, “Molecular dynamics simulation of
    polypropylene: diffusion and sorption of H2O, H2O2, H2, O2 and determination of
    the glass transition temperature,” <i>Journal of Polymer Research</i>, vol. 29,
    no. 11, 2022.'
  mla: 'Deckers, Fabian, et al. “Molecular Dynamics Simulation of Polypropylene: Diffusion
    and Sorption of H2O, H2O2, H2, O2 and Determination of the Glass Transition Temperature.”
    <i>Journal of Polymer Research</i>, vol. 29, no. 11, 463, Springer Science and
    Business Media LLC, 2022, doi:<a href="https://doi.org/10.1007/s10965-022-03304-y">10.1007/s10965-022-03304-y</a>.'
  short: F. Deckers, K. Rasim, C. Schröder, Journal of Polymer Research 29 (2022).
date_created: 2022-10-21T11:29:38Z
date_updated: 2026-03-17T15:28:30Z
doi: 10.1007/s10965-022-03304-y
funded_apc: '1'
intvolume: '        29'
issue: '11'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://link.springer.com/article/10.1007/s10965-022-03304-y
oa: '1'
project:
- _id: f89a05bb-bcea-11ed-9442-ed382659bc06
  name: Bielefelder Institut für Angewandte Materialforschung
publication: Journal of Polymer Research
publication_identifier:
  eissn:
  - 1572-8935
  issn:
  - 1022-9760
publication_status: published
publisher: Springer Science and Business Media LLC
quality_controlled: '1'
status: public
title: 'Molecular dynamics simulation of polypropylene: diffusion and sorption of
  H2O, H2O2, H2, O2 and determination of the glass transition temperature'
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: journal_article
user_id: '216459'
volume: 29
year: '2022'
...