---
_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'
...