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