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QMCPACK

QMCPACK is an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.

Navigate to Other Activities by Strategic Goal

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