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.

Department of Energy (DOE)

Office of Basic Energy Sciences (BES)

External Links:

http://qmcpack.org/

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Navigate to Other Activities by Strategic Goal

Strategic Goal: Integrate Experiments, Computation, and Theory
Center for Hierarchical Materials Design (CHiMaD)
Multidisciplinary University Research Initiative: Managing the Mosaic of Microstructure
Data and Computational Tools for Advanced Materials Design: Structural Materials Applications - Cobalt Based Superalloys
The Center for Materials in Extreme Dynamic Environments (CMEDE)
Rational Design of Advanced Polymeric Capacitor Films Multidisciplinary University Research Initiative (MURI)
PRedictive Integrated Structural Materials Science (PRISMS) Center
QMCPACK
Center of Excellence on Integrated Materials Modeling (CEIMM)
Center of Materials in Extreme Dynamic Environments (CMEDE)
Innovation in High Energy Diffraction Microscopy Adds New Insights to Material Deformation and Failure
DOE EERE Fuel Cell Technologies Office Database
The Nanoporous Materials Genome Center

Strategic Goal: Facilitate Access to Materials Data
Materials Data Curation System
Automatic Flow for Materials Discovery (AFLOW)
Data and Computational Tools for Advanced Materials Design: Structural Materials Applications - Cobalt Based Superalloys
DOE EERE Fuel Cell Technologies Office Database
Innovative methods to identify critical and/or strategic elements from unconventional domestic sources
PRedictive Integrated Structural Materials Science (PRISMS) Center
Innovation in High Energy Diffraction Microscopy Adds New Insights to Material Deformation and Failure
Development and application of innovative methods for quantification of hexavalent chromium in soils
Center of Materials in Extreme Dynamic Environments (CMEDE)
AFRL, NIST, and NSF Announce Materials Science and Engineering Data Challenge Awardees
The Materials Project
Joint Center for Artificial Photosynthesis (JCAP)
Center for Theoretical and Computational Materials Science (CTCMS)
Center for Hierarchical Materials Design (CHiMaD)

Strategic Goal: Equip the Next-Generation Materials Workforce
PRedictive Integrated Structural Materials Science (PRISMS) Center
The Materials Project
Joint Center for Energy Storage Research (JCESR)
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)
Center for Hierarchical Materials Design (CHiMaD)
Automatic Flow for Materials Discovery (AFLOW)
Rational Design of Advanced Polymeric Capacitor Films Multidisciplinary University Research Initiative (MURI)

Strategic Goal: Enable a Paradigm Shift in Materials Development
Center of Excellence on Integrated Materials Modeling (CEIMM)
Joint Center for Energy Storage Research (JCESR)
Center of Materials in Extreme Dynamic Environments (CMEDE)
The Materials Project
Center for Hierarchical Materials Design (CHiMaD)
The Nanoporous Materials Genome Center
Multidisciplinary University Research Initiative: Managing the Mosaic of Microstructure
The Center for Materials in Extreme Dynamic Environments (CMEDE)
The Brilliance of Diamonds
AFRL, NIST, and NSF Announce Materials Science and Engineering Data Challenge Awardees
PRedictive Integrated Structural Materials Science (PRISMS) Center
QMCPACK

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*The Materials Genome Initiative (MGI) is a U.S. Federal government multi-stakeholder initiative to develop an infrastructure to accelerate and sustain domestic materials discovery and deployment in the United States. MGI is distinct from "Materials Genome", which is a registered trademark of MaterialsGenome, Inc. (a Pennsylvania Corporation). The use of the term "Materials Genome Initiative" is not intended to serve as an endorsement of or an association with the trademarked term "Materials Genome.”