# 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

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