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