About the Materials Project


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.


Supercomputing clusters at national laboratories provide the infrastructure that enables our computations, data, and algorithms to run at unparalleled speed. We principally use the Lawrence Berkeley National Laboratory's NERSC Scientific Computing Center and Computational Research Division, but we are also active with Oak Ridge's OLCF, Argonne's ALCF, and San Diego's SDSC.


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

  • 144,595

    inorganic compounds
  • 76,240

  • 63,876

  • 530,243

    nanoporous materials
  • 14,072

    elastic tensors
  • 3,402

    piezoelectric tensors
  • 4,730

    intercalation electrodes
  • 16,128

    conversion electrodes


Kristin Persson

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

Senior Faculty Scientist, Lawrence Berkeley National Laboratory


Mark Asta
Faculty Scientist, LBNL
Gerbrand Ceder
Senior Faculty Scientist, LBNL
Daryl Chrzan
Faculty Scientist, LBNL
Daniel Gunter
Staff Scientist, LBNL
Geoffroy Hautier
Asst Professor, UCL Belgium
Gian-Marco Rignanese
Professor, UCL Belgium
Anubhav Jain
Staff Scientist, LBNL
Peter Khalifah
Faculty Scientist, BNL
Lane Martin
Faculty Scientist, LBNL
Jeffrey Neaton
Senior Faculty Scientist, LBNL
Shyue Ping Ong
Asst Professor, UCSD

In Collaboration With:

GitHub users with pull requests merged to MP code repositories.

Partners and Support


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). Support from Schrödinger Inc. is gratefully acknowledged for the development of The Electrolyte Genome and the Molecular Explorer.

The Materials Project is also supported by a Laboratory Directed Research and Development grant from LBNL, and by the U.S. National Science Foundation (NSF) via the Data Infrastructure Building Blocks (DIBBS) program. Disseminated science is supported by DOE (BES and BMR), NSF, Gillette, Volkswagen, Umicore, and Bosch.

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.