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