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