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

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

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

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

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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.”