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

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

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

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