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

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

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

Strategic Goal: Equip the Next-Generation Materials Workforce
Center of Materials in Extreme Dynamic Environments (CMEDE)
Multidisciplinary University Research Initiative: Managing the Mosaic of Microstructure
Center of Excellence on Integrated Materials Modeling (CEIMM)
The Materials Project
Rational Design of Advanced Polymeric Capacitor Films Multidisciplinary University Research Initiative (MURI)
Joint Center for Energy Storage Research (JCESR)
Center for Hierarchical Materials Design (CHiMaD)
Automatic Flow for Materials Discovery (AFLOW)
PRedictive Integrated Structural Materials Science (PRISMS) Center

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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.”