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