About the Materials Project

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.

Database Statistics

  • 66,857

    inorganic compounds
  • 44,118

    bandstructures
  • 21,954

    molecules
  • 530,243

    nanoporous materials
  • 3,063

    elastic tensors
  • 941

    piezoelectric tensors
  • 3,628

    intercalation electrodes
  • 16,128

    conversion electrodes

Director

Kristin Persson

Assistant Professor, Department of Materials Science and Engineering, University of California at Berkeley

Staff Scientist, Lawrence Berkeley National Laboratory

Associate Director

Gerbrand Ceder

Chancellor's Professor, Department of Materials Science and Engineering, University of California at Berkeley

Faculty Fellow, Lawrence Berkeley National Laboratory

Partners and Support

BMR

Development of the Materials Project is supported by the U.S. Department of Energy (DOE) through its Office of Science, via the Basic Energy Sciences (BES) and Advanced Scientific Computing Research (ASCR) programs, and through its Office of Energy Efficiency and Renewable Energy (EERE), via the Battery Materials Research (BMR, formerly BATT) program. A notable source of support within DOE-BES is the Joint Center for Energy Storage Research (JCESR).

The Materials Project is also supported by a Laboratory Directed Research and Development grant from LBNL. Disseminated science is supported by DOE (BES and BMR), the National Science Foundation (NSF), Gillette, Umicore, and Bosch.

Advisory Board

Mattias Scheffler
Fritz Haber Institute
Nicola Marzari
EPFL
Brent Fultz
Caltech
Dane Morgan
UW-Madison
Antony Williams
Royal Society of Chemistry

In Collaboration With:

LBNL
  • Kristin Persson
  • Dan Gunter
  • Maciej Haranszyk
  • Jeff Neaton
  • Anubhav Jain
  • Donny Winston
  • Wei Chen
  • Qimin Yan
  • Bharat Medasani
  • Monte Goode
  • Xiaohui Qu
  • Miao Liu
UC Berkeley
  • Mark Asta
  • Maarten de Jong
  • Dan Broberg
  • Tom Angsten
NERSC
  • David Skinner
  • Shreyas Cholia
MIT
  • Gerbrand Ceder
  • William Davidson Richards
  • Stephen Dacek
  • Bo Xu
  • Wenhao Sun
  • Sai Jayaraman
UCSD
  • Shyue Ping Ong
  • Anthony Gamst
  • Randy Notestine
Duke University
  • Stefano Curtarolo
  • Cormac Toher
  • Jose Javier Plata Ramos
Caltech
  • Jeff Snyder
  • Zachary Gibbs
UW-Madison
  • Dane Morgan
  • Tam Mayeshiba
UCL Belgium
  • Geoffroy Hautier

Open APIs

For information about our materials API and pymatgen analysis code, please check our API page and visit the Fireworks page for details about our open source scientific workflow software.

Get In Touch

Questions? Feedback? We'd love to hear from you via our discussion forum.