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

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

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

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

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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.”