Sorry, you need to enable JavaScript to visit this website.

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