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