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

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

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

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