---
res:
  bibo_abstract:
  - 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.@eng
  bibo_authorlist:
  - foaf_Person:
      foaf_givenName: Vahid
      foaf_name: Jamebozorgi, Vahid
      foaf_surname: Jamebozorgi
      foaf_workInfoHomepage: http://www.librecat.org/personId=242086
    orcid: 0009-0005-5700-3549
  - foaf_Person:
      foaf_givenName: Robin
      foaf_name: Quisbrok, Robin
      foaf_surname: Quisbrok
  - foaf_Person:
      foaf_givenName: Christian
      foaf_name: Schröder, Christian
      foaf_surname: Schröder
      foaf_workInfoHomepage: http://www.librecat.org/personId=35809
    orcid: 0000-0002-6391-6548
    orcid_put_code_url: https://api.orcid.org/v2.0/0000-0002-6391-6548/work/225113776
  dct_date: 2026^xs_gYear
  dct_publisher: Vahid Jamebozorgi, self-published@
  dct_subject:
  - Atomistic simulation
  - Defects
  - XRD
  - TEM
  - Vibrational analysis
  - Virtual material characterization
  dct_title: Virtual Characterization Lab Toolkit@
...