Center for Theoretical and Computational Materials Science (CTCMS)

Mission

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

• Diffusion Working Group on High Throughput Analysis of Multicomponent Multiphase Diffusion Data
• OOF: Object-Oriented Finite Element Analysis of Real Material Microstructures Working Group
• FiPy: A Finite Volume PDE Solver Using Python
• Interatomic Potential Repository Project
• Micromagnetic Modeling ($\mu$MAG) Working Group
• The Materials Digital Library

Working Group Archives

• Solder Interconnect Geometry and Reactive Wetting code archive
• Phase Field Modeling Tools simulation archive

Navigate to Other Activities by Strategic Goal

 Center for Hierarchical Materials Design (CHiMaD) Automatic Flow for Materials Discovery (AFLOW) Joint Center for Artificial Photosynthesis (JCAP) Innovation in High Energy Diffraction Microscopy Adds New Insights to Material Deformation and Failure Center of Materials in Extreme Dynamic Environments (CMEDE) PRedictive Integrated Structural Materials Science (PRISMS) Center Center for Theoretical and Computational Materials Science (CTCMS) Data and Computational Tools for Advanced Materials Design: Structural Materials Applications - Cobalt Based Superalloys Materials Data Curation System AFRL, NIST, and NSF Announce Materials Science and Engineering Data Challenge Awardees The Materials Project Development and application of innovative methods for quantification of hexavalent chromium in soils DOE EERE Fuel Cell Technologies Office Database Innovative methods to identify critical and/or strategic elements from unconventional domestic sources
 Center of Materials in Extreme Dynamic Environments (CMEDE) QMCPACK Multidisciplinary University Research Initiative: Managing the Mosaic of Microstructure AFRL, NIST, and NSF Announce Materials Science and Engineering Data Challenge Awardees The Materials Project Center for Hierarchical Materials Design (CHiMaD) PRedictive Integrated Structural Materials Science (PRISMS) Center The Center for Materials in Extreme Dynamic Environments (CMEDE) Joint Center for Energy Storage Research (JCESR) The Nanoporous Materials Genome Center The Brilliance of Diamonds Center of Excellence on Integrated Materials Modeling (CEIMM)
 Center of Excellence on Integrated Materials Modeling (CEIMM) Automatic Flow for Materials Discovery (AFLOW) Multidisciplinary University Research Initiative: Managing the Mosaic of Microstructure The Materials Project Joint Center for Energy Storage Research (JCESR) Center of Materials in Extreme Dynamic Environments (CMEDE) Rational Design of Advanced Polymeric Capacitor Films Multidisciplinary University Research Initiative (MURI) PRedictive Integrated Structural Materials Science (PRISMS) Center Center for Hierarchical Materials Design (CHiMaD)
 Center for Hierarchical Materials Design (CHiMaD) DOE EERE Fuel Cell Technologies Office Database PRedictive Integrated Structural Materials Science (PRISMS) Center Multidisciplinary University Research Initiative: Managing the Mosaic of Microstructure Rational Design of Advanced Polymeric Capacitor Films Multidisciplinary University Research Initiative (MURI) Data and Computational Tools for Advanced Materials Design: Structural Materials Applications - Cobalt Based Superalloys The Center for Materials in Extreme Dynamic Environments (CMEDE) The Nanoporous Materials Genome Center Center of Materials in Extreme Dynamic Environments (CMEDE) Innovation in High Energy Diffraction Microscopy Adds New Insights to Material Deformation and Failure QMCPACK Center of Excellence on Integrated Materials Modeling (CEIMM)