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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

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