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The Materials Project

Harnessing the power of supercomputing and state of the art electronic structure methods, the Materials Project provides open web-based access to computed information on known and predicted materials as well as powerful analysis tools to inspire and design novel materials.

Software

By computing properties of all known materials, the Materials Project aims to remove guesswork from materials design in a variety of applications. Experimental research can be targeted to the most promising compounds from computational data sets. Researchers will be able to data-mine scientific trends in materials properties. By providing materials researchers with the information they need to design better, the Materials Project aims to accelerate innovation in materials research.

Supercomputers

Supercomputing clusters at the Lawrence Berkeley National Laboratory's NERSC Scientific Computing Center and Computational Research Division provide the infrastructure that enables our computations, data, and algorithms to run at unparalleled speed

Screening

Computational materials science is now powerful enough that it can predict many properties of materials before those materials are ever synthesized in the lab. By scaling materials computations over supercomputing clusters, we have predicted several new battery materials which were made and tested in the lab. Recently, we have also identified new transparent conducting oxides and thermoelectric materials using this approach.

References: 

A. Jain*, S.P. Ong*, G. Hautier, W. Chen, W.D. Richards, S. Dacek, S. Cholia, D. Gunter, D. Skinner, G. Ceder, K.A. Persson (*=equal contributions), Applied Physics Letters Materials, 2013, 1(1), 011002.

The Materials Project: A materials genome approach to accelerating materials innovation: doi:10.1063/1.4812323

Navigate to Other Activities by Strategic Goal

Strategic Goal: Integrate Experiments, Computation, and Theory
Center for Hierarchical Materials Design (CHiMaD)
Rational Design of Advanced Polymeric Capacitor Films Multidisciplinary University Research Initiative (MURI)
DOE EERE Fuel Cell Technologies Office Database
PRedictive Integrated Structural Materials Science (PRISMS) Center
Innovation in High Energy Diffraction Microscopy Adds New Insights to Material Deformation and Failure
QMCPACK
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 of Excellence on Integrated Materials Modeling (CEIMM)
Multidisciplinary University Research Initiative: Managing the Mosaic of Microstructure
The Nanoporous Materials Genome Center
Strategic Goal: Equip the Next-Generation Materials Workforce
PRedictive Integrated Structural Materials Science (PRISMS) Center
Automatic Flow for Materials Discovery (AFLOW)
Center of Materials in Extreme Dynamic Environments (CMEDE)
The Materials Project
Center of Excellence on Integrated Materials Modeling (CEIMM)
Joint Center for Energy Storage Research (JCESR)
Multidisciplinary University Research Initiative: Managing the Mosaic of Microstructure
Center for Hierarchical Materials Design (CHiMaD)
Rational Design of Advanced Polymeric Capacitor Films Multidisciplinary University Research Initiative (MURI)
Strategic Goal: Facilitate Access to Materials Data
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
PRedictive Integrated Structural Materials Science (PRISMS) Center
Automatic Flow for Materials Discovery (AFLOW)
DOE EERE Fuel Cell Technologies Office Database
Joint Center for Artificial Photosynthesis (JCAP)
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
The Materials Project
Center for Hierarchical Materials Design (CHiMaD)
Center of Materials in Extreme Dynamic Environments (CMEDE)
Materials Data Curation System
Data and Computational Tools for Advanced Materials Design: Structural Materials Applications - Cobalt Based Superalloys
Center for Theoretical and Computational Materials Science (CTCMS)
Strategic Goal: Enable a Paradigm Shift in Materials Development
The Materials Project
The Brilliance of Diamonds
PRedictive Integrated Structural Materials Science (PRISMS) Center
The Center for Materials in Extreme Dynamic Environments (CMEDE)
Joint Center for Energy Storage Research (JCESR)
Center of Materials in Extreme Dynamic Environments (CMEDE)
QMCPACK
Multidisciplinary University Research Initiative: Managing the Mosaic of Microstructure
Center of Excellence on Integrated Materials Modeling (CEIMM)
The Nanoporous Materials Genome Center
Center for Hierarchical Materials Design (CHiMaD)
AFRL, NIST, and NSF Announce Materials Science and Engineering Data Challenge Awardees