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

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

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

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

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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.”