# 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

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