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