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

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

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

Strategic Goal: Equip the Next-Generation Materials Workforce
The Materials Project
Center for Hierarchical Materials Design (CHiMaD)
Center of Materials in Extreme Dynamic Environments (CMEDE)
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)
Multidisciplinary University Research Initiative: Managing the Mosaic of Microstructure
PRedictive Integrated Structural Materials Science (PRISMS) Center

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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.”