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 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.
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
-
144,595
inorganic compounds -
76,240
bandstructures -
63,876
molecules -
530,243
nanoporous materials
-
14,072
elastic tensors -
3,402
piezoelectric tensors -
4,730
intercalation electrodes -
16,128
conversion electrodes
Director
Kristin Persson
Professor, Department of Materials Science and
Engineering,
University of California at Berkeley
Senior Faculty Scientist, Lawrence Berkeley National Laboratory
Co-Investigators
- 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.
steven
ATNDiaye
Ameyanagi
Xin Chen
Richard Tran
Rhys Goodall
Michael Lamparski
FCMeng
Gabriel Antonius
H0lland
Hanmei Tang
JPalakapilly
JRSuckert
JSelf42
J. George
JiQi535
Joseph Montoya
Kazuki Morita
KhanWhale
KirbyBroderick
Liam Deacon
LindaHung-TRI
Michael Wolloch
Patrick Reiser
Qi Wang
Christina Ertural
Remi Lehe
Roberto Díaz Pérez
RokasEl
Roooommmmelllll
Scott Thiel
ShuaishuaiYuan
Hui Zheng
TrellixVulnTeam
Ziyao Luo
Logan Ward
YunxingZuo
Zhuoying Zhu
Alexander Bonkowski
Ann Rutt
Adam Kerrigan
Zhi Deng
Alan Dozier
Adam J. Jackson
Alireza Faghaninia
Adam Krajewski
Viet-Anh HA
Alex Dunn
Alex Epstein
Andrew S. Rosen
Arunima Singh
awvio
Muratahan Aykol
Ayush Gupta
Ben Afflerbach
Tim
Ben Saunders
bernstei
bfoster-lbl
Benjamin Morgan
Evgeny Blokhin
Tess
Brandon Bocklund
Brook Wander
bwjustus
Craig Fisher
Chabbey François
Chi Chen
Wei Chen
Chunwei
Christian Legaspi
cmgtam
He Zhu
Codacy Badger
Cody O'Donnell
Anubhav Jain
Chen Zheng
Dan Gunter
Daniel Barter
darnoceloc
David Waroquiers
Danny Broberg
David Cossey
dependabot-preview[bot]
dependabot[bot]
Dale Gaines II
dietherjohn20
Daniil Kitchaev
Dmitry Korotin
dongsenfo
David Dotson
Drew Parsons
Daniel Schwalbe-Koda
Maxwell Dylla
dynikon
Eisuke Kawashima
eantono
Kristjan Eimre
Evan Walter Clark Spotte-Smith
fc-tud
Adam Fekete
Petre-Flaviu Gostin
flihy
flxb
Francesco Ricci
Sungyun Kim
fyalcin
gen
Germain Salvato Vallverdu
Guillaume Brunin
gcheon
Gilberto Pastorello
github-actions[bot]
Matteo Giantomassi
Guido Petretto
Guy Moore
Geoffroy Hautier
Henrique Miranda
Henrik Rusche
Haoyan Huo
hillarypan
Haoming Howard Li
hongyi-zhao
Hetal D. Patel
Hrushikesh Sahasrabuddhe
Tingzheng Hou
Achintha Avin Ihalage
Ivan Kondov
Jack Sundberg
jakirkham
Jan Janssen
Janosh Riebesell
Henning Janssen
Jacob Boes
John Dagdelen
Jianli Cheng
Jimmy Shen
Iek-Heng Chu
Jonathan Ringer
Jordan Burns
Josua Vieten
Johannes L. Hörmann
katherinelatimer2013
Seán Kavanagh
kdfong
Ketan Bhatt
Jiyoon Kim
Kevin M Jablonka
Koki MURAOKA
Kamal Choudhary
Kazuhiro Suzuki
Kevin Waters
Kyle Bystrom
Kohei Shinohara
Laurie Stephey
Luis Barroso-Luque
Liam Damewood
leicheng
Weitang Li
lordzappo
Leopold Talirz
mamachra
Marco Esters
matbench-submission-coGN
Kiran Mathew
Matt McDermott
Bharat Medasani
Max Gallant
mcocdawc
Andrius Merkys
Michael F. Herbst
Martin Siron
Miao Liu
Miguel Dias Costa
Michael Humbert
Mingjian Wen
Matthew Horton
Matthew Evans
Matt Henderson
Joseph Montoya
Nicholas Wagner
Mark Turiansky
Jason Munro
Aakash Ashok Naik
Hagen
Naveen
ndardenne
Niclas Heinsdorf
Takayuki Nishiyama
Nils Zimmermann
Jinzhe Zeng
nkeilbart
nwinner
Orion Cohen
Orion Cohen
Oxana Andriuc
Paulin
Kai Pei
penicillin0
petousis
Peter
pre-commit-ci[bot]
pyup.io bot
Pezhman Zarabadi-Poor
qianchenqc
Janakiraman Balachandran
rdguha1995
rees-c
renpj
Yuta Suzuki
Richard Gowers
Richard Tran
Ryan Kingsbury
Rachel Kurchin
rstern16
ruixingw
ruoxi
Rachel Woods-Robinson
Samuel M. Blau
Alex
Saurabh Bajaj
sbhtw
Stephen Dacek
Steve Zeltmann
Sterling Baird
Shaun Ziqin Rong
shenjh369
shreddd
Shyam Dwaraknath
Shyue Ping Ong
Simon Ward
sivonxay
Shahriar Heidrich
smithmackensie96
KeLiu
Steven Torrisi
Steven Hartman
stichri
Sudarshan Vijay
Stephen
Liz Decolvenaere
tamuhey
Karthikeyan Singaravelan
Tom Wood
Tonnam Balankua
Patrick Huck
Tyler Huntington
Xiang-Guo Li
Alex Ganose
Uthpala Herath
Shishin Mo
Christian Vorwerk
w6ye
waffle-iron
water-e
welltemperedpaprika
Will Richards
Brandon Wood
William Scullin
wsyxbcl
Michael Wu
Xiaohui Qu
xiaowei-xie
Jeremiah
XiongJF
ruoxi
Yihan Xiao
Yiming Xu
Yiming Chen
yury-lysogorskiy
yuuukuma
Yuji Ikeda
zacharygibbs
Zhenbin Wang
Bonan Zhu
Austin Zadoks
Zachary Ulissi
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.