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