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