The Center's mission is to support the Material Measurement Laboratory's mission in materials measurement and data delivery by:


  • developing, solving, and quantifying materials models using state-of-the-art computational approaches;
  • creating opportunities for collaboration where CTCMS can make a positive difference by virtue of its structure, focus, and people;
  • developing powerful new tools for materials theory and modeling and accelerating their integration into industrial research.

Active Working Groups


Working Group Archives


Created January 22, 2009, Updated August 25, 2016


  • Center for Theoretical and Computational Materials Science

    James Warren, Director

    Andrew Reid, Computer Operations Administrator

    100 Bureau Drive, M/S 8552
    Gaithersburg, MD 20899

    301-975-6154 Telephone
    301-975-4553 Facsimile