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

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

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

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

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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.”