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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

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