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