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

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

Strategic Goal: Enable a Paradigm Shift in Materials Development
Joint Center for Energy Storage Research (JCESR)
PRedictive Integrated Structural Materials Science (PRISMS) Center
Center of Materials in Extreme Dynamic Environments (CMEDE)
Center for Hierarchical Materials Design (CHiMaD)
The Materials Project
The Nanoporous Materials Genome Center
QMCPACK
The Brilliance of Diamonds
Center of Excellence on Integrated Materials Modeling (CEIMM)
Multidisciplinary University Research Initiative: Managing the Mosaic of Microstructure
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
PRedictive Integrated Structural Materials Science (PRISMS) Center
Joint Center for Energy Storage Research (JCESR)
Automatic Flow for Materials Discovery (AFLOW)
Center of Excellence on Integrated Materials Modeling (CEIMM)
Center for Hierarchical Materials Design (CHiMaD)
Rational Design of Advanced Polymeric Capacitor Films Multidisciplinary University Research Initiative (MURI)
The Materials Project
Center of Materials in Extreme Dynamic Environments (CMEDE)
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.”