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