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: Facilitate Access to Materials Data
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AFRL, NIST, and NSF Announce Materials Science and Engineering Data Challenge Awardees
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Center of Materials in Extreme Dynamic Environments (CMEDE)
PRedictive Integrated Structural Materials Science (PRISMS) Center

Strategic Goal: Integrate Experiments, Computation, and Theory
Multidisciplinary University Research Initiative: Managing the Mosaic of Microstructure
The Nanoporous Materials Genome Center
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
DOE EERE Fuel Cell Technologies Office Database
The Center for Materials in Extreme Dynamic Environments (CMEDE)
Center of Materials in Extreme Dynamic Environments (CMEDE)
Center for Hierarchical Materials Design (CHiMaD)
Center of Excellence on Integrated Materials Modeling (CEIMM)
Rational Design of Advanced Polymeric Capacitor Films Multidisciplinary University Research Initiative (MURI)
QMCPACK
PRedictive Integrated Structural Materials Science (PRISMS) Center

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

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

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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.”