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