metadata.yml

---
code_id: 11962
open_source: true
repository_link: https://github.com/materialsproject/pymatgen
accessibility: OS
software_type: S
developers:
- affiliations: ['University of California, Berkeley', Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Iulia-Oxana
  last_name: Andriuc
  orcid: ''
- affiliations: [Micron Technology Inc.]
  email: ''
  first_name: Saurabh
  last_name: Bajaj
  orcid: ''
- affiliations: [Hitachi]
  email: ''
  first_name: Janakiraman
  last_name: Balachandran
  orcid: ''
- affiliations: [Optum]
  email: ''
  first_name: Tonnam
  last_name: Balankura
  orcid: ''
- affiliations: ['University of California, Berkeley']
  email: ''
  first_name: Luis
  last_name: Barroso-Luque
  orcid: ''
- affiliations: [Tilde Materials Informatics]
  email: ''
  first_name: Evgeny
  last_name: Blokhin
  orcid: 0000-0002-5333-3947
- affiliations: [The Pennsylvania State University]
  email: ''
  first_name: Brandon
  last_name: Bocklund
  orcid: 0000-0002-3264-8413
- affiliations: [RWTH Aachen University, Université catholique de Louvain]
  email: ''
  first_name: Alexander
  last_name: Bonkowski
  orcid: 0000-0002-0525-4742
- affiliations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Danny
  last_name: Broberg
  orcid: ''
- affiliations: [University of Pennsylvania]
  email: ''
  first_name: Nathan
  last_name: C. Frey
  orcid: 0000-0001-5291-6131
- affiliations: [University College London]
  email: ''
  first_name: Bruno
  last_name: Camino
  orcid: 0000-0002-9569-2219
- affiliations: [Cornell University]
  email: ''
  first_name: Rees
  last_name: Chang
  orcid: ''
- affiliations: [University of California, San Diego]
  email: ''
  first_name: Chi
  last_name: Chen
  orcid: ''
- affiliations: [Institute of Applied Physics and Computational Mathematics]
  email: ''
  first_name: Xin
  last_name: Chen
  orcid: 0000-0001-9643-0870
- affiliations: [University of California, San Diego]
  email: ''
  first_name: Yiming
  last_name: Chen
  orcid: 0000-0002-1501-5550
- affiliations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Shreyas
  last_name: Cholia
  orcid: 0000-0002-4775-8201
- affiliations: [National Institute of Standards and Technology]
  email: ''
  first_name: Kamal
  last_name: Choudhary
  orcid: 0000-0001-9737-8074
- affiliations: [UC Berkeley, Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Orion
  last_name: Cohen
  orcid: ''
- affiliations: [University of Florida]
  email: ''
  first_name: Conrad
  last_name: Cole
  orcid: ''
- affiliations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: John
  last_name: Dagdelen
  orcid: ''
- affiliations: [Light Bytes Technology Ltd.]
  email: ''
  first_name: Liam
  last_name: Deacon
  orcid: ''
- affiliations: [D. E. Shaw Research]
  email: ''
  first_name: Elizabeth
  last_name: Decolvenaere
  orcid: 0000-0002-6350-3559
- affiliations: [Centre for Advanced 2D Materials, National University of Singapore]
  email: ''
  first_name: Miguel
  last_name: Dias Costa
  orcid: 0000-0001-8859-5763
- affiliations: [University of Liverpool]
  email: ''
  first_name: Robert
  last_name: Dickson
  orcid: 0000-0003-3007-808X
- affiliations: [Lawrence Berkeley National Laboratory, 'University of California, Berkeley']
  email: ''
  first_name: Alex
  last_name: Dunn
  orcid: 0000-0002-8567-1879
- affiliations: [LBL]
  email: ''
  first_name: Shyam
  last_name: Dwaraknath
  orcid: 0000-0003-0289-2607
- affiliations: [Northwestern University]
  email: ''
  first_name: Maxwell
  last_name: Dylla
  orcid: ''
- affiliations: [University of California, Santa Barbara]
  email: ''
  first_name: Mark
  last_name: E. Turiansky
  orcid: 0000-0002-9154-3582
- affiliations: [Swiss Federal Laboratories for Materials Science and Technology]
  email: ''
  first_name: Kristjan
  last_name: Eimre
  orcid: 0000-0002-3444-3286
- affiliations: ['University of California, Berkeley', ' Lawrence Berkeley National Laboratory']
  email: ''
  first_name: Alex
  last_name: Epstein
  orcid: 0000-0002-9914-2388
- affiliations: [UCLouvain]
  email: ''
  first_name: Matthew
  last_name: Evans
  orcid: 0000-0002-1182-9098
- affiliations: ["CERMICS, Inria Paris and École des Ponts-ParisTech"]
  email: ''
  first_name: Michael
  last_name: F. Herbst
  orcid: 0000-0003-0378-7921
- affiliations: ["Université catholique de Louvain"]
  email: ''
  first_name: Adam
  last_name: Fekete
  orcid: ''
- affiliations: [Northwestern University]
  email: ''
  first_name: Dale
  last_name: Gaines II
  orcid: 0000-0001-9280-1240
- affiliations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Alex
  last_name: Ganose
  orcid: 0000-0002-4486-3321
- affiliations: ["Federal Institute for Materials Research and Testing (BAM), Berlin, Germany. Friedrich-Schiller-Universität Jena, Germany."]
  email: ''
  first_name: Janine
  last_name: George
  orcid: 0000-0001-8907-0336
- affiliations: [University of Pau and Pays de l'Adour]
  email: ''
  first_name: Salvato-Vallverdu
  last_name: Germain
  orcid: 0000-0003-1116-8776
- affiliations: ["Université catholique de Louvain"]
  email: ''
  first_name: Matteo
  last_name: Giantomassi
  orcid: ''
- affiliations: ["Université catholique de Louvain"]
  email: ''
  first_name: Yannick
  last_name: Gillet
  orcid: 0000-0001-6201-0317
- affiliations: [University of Cambridge]
  email: ''
  first_name: Rhys
  last_name: Goodall
  orcid: 0000-0002-6589-1700
- affiliations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Dan
  last_name: Gunter
  orcid: 0000-0002-2779-2744
- affiliations: ['University of California, Berkeley']
  email: ''
  first_name: Ayush
  last_name: Gupta
  orcid: ''
- affiliations: [University of Texas at Austin]
  email: ''
  first_name: Viet-Anh
  last_name: Ha
  orcid: 0000-0002-6665-1274
- affiliations: [Los Alamos National Laboratory]
  email: ''
  first_name: Steven
  last_name: Hartman
  orcid: ''
- affiliations: ["Université catholique de Louvain"]
  email: ''
  first_name: Geoffroy
  last_name: Hautier
  orcid: 0000-0003-1754-2220
- affiliations: [Max Planck Institute for Solid State Research]
  email: ''
  first_name: Niclas
  last_name: Heinsdorf
  orcid: ''
- affiliations: [West Virginia University]
  email: ''
  first_name: Uthpala
  last_name: Herath
  orcid: 0000-0002-4585-3002
- affiliations: [West Virginia University]
  email: ''
  first_name: Uthpala
  last_name: 'Herath '
  orcid: 0000-0002-4585-3002
- affiliations: []
  email: ''
  first_name: Tim
  last_name: Holme
  orcid: 0000-0003-3789-3511
- affiliations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Matthew
  last_name: Horton
  orcid: 0000-0001-7777-8871
- affiliations: ['University of California, Berkeley']
  email: ''
  first_name: Tingzheng
  last_name: Hou
  orcid: 0000-0002-7163-2561
- affiliations: ['University of California, Berkeley']
  email: ''
  first_name: Yu
  last_name: Hsuan Liang
  orcid: ''
- affiliations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Patrick
  last_name: Huck
  orcid: ''
- affiliations: [University of Notre Dame]
  email: ''
  first_name: Michael
  last_name: Humbert
  orcid: 0000-0003-1966-6382
- affiliations: [Toyota Research Institute]
  email: ''
  first_name: Linda
  last_name: Hung
  orcid: 0000-0002-1578-6152
- affiliations: [Scientific Computing Department, Science and Technology Facilities Council, UK]
  email: ''
  first_name: Adam
  last_name: J. Jackson
  orcid: 0000-0001-5272-6530
- affiliations: [University of Bath]
  email: ''
  first_name: Benjamin
  last_name: J. Morgan
  orcid: 0000-0002-3056-8233
- affiliations: [imec Leuven, ' European Theoretical Spectroscopy Facility']
  email: ''
  first_name: Michiel
  last_name: J. van Setten
  orcid: 0000-0003-0557-5260
- affiliations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Anubhav
  last_name: Jain
  orcid: 0000-0001-5893-9967
- affiliations: [SUNY Stony Brook]
  email: ''
  first_name: Jonathan
  last_name: James Denney
  orcid: 0000-0002-7615-997X
- affiliations: [Los Alamos National Laboratory]
  email: ''
  first_name: Jan
  last_name: Janssen
  orcid: 0000-0001-9948-7119
- affiliations: ["Max-Planck-Institut für Eisenforschung GmbH"]
  email: ''
  first_name: Jan
  last_name: 'Janssen '
  orcid: 0000-0001-9948-7119
- affiliations: [RWTH Aachen, " Forschungszentrum Jülich"]
  email: ''
  first_name: Henning
  last_name: "Jan\xDFen"
  orcid: 0000-0003-3558-9487
- affiliations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Benjamin
  last_name: Justus
  orcid: ''
- affiliations: [RIKEN]
  email: ''
  first_name: Eisuke
  last_name: Kawashima
  orcid: ''
- affiliations: [NIOSH]
  email: ''
  first_name: Alan
  last_name: Kent Dozier
  orcid: ''
- affiliations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Ryan
  last_name: Kingsbury
  orcid: 0000-0002-7168-3967
- affiliations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Ryan
  last_name: Kingsbury
  orcid: 0000-0002-7168-3967
- affiliations: [Erudita]
  email: ''
  first_name: Michael
  last_name: Kocher
  orcid: ''
- affiliations: [Institute of Metal Physics, UB RAS]
  email: ''
  first_name: Dmitry
  last_name: Korotin
  orcid: 0000-0002-4070-2045
- affiliations: [Tokyo Institute of Technology]
  email: ''
  first_name: Yu
  last_name: Kumagai
  orcid: 0000-0003-0489-8148
- affiliations: [Carnegie Mellon University]
  email: ''
  first_name: Rachel
  last_name: Kurchin
  orcid: 0000-0002-2147-4809
- affiliations: [Physics, University of California, Berkeley]
  email: ''
  first_name: Katherine
  last_name: Latimer
  orcid: ''
- affiliations: [Tsinghua University]
  email: ''
  first_name: Weitang
  last_name: Li
  orcid: 0000-0002-8739-641X
- affiliations: [University of California, San Diego]
  email: ''
  first_name: Xiangguo
  last_name: Li
  orcid: 0000-0002-2062-3809
- affiliations: [TSMC]
  email: ''
  first_name: Yuh-Chieh
  last_name: Lin
  orcid: ''
- affiliations: ['University of California, Berkeley']
  email: ''
  first_name: Handong
  last_name: Ling
  orcid: ''
- affiliations: ["University of Michigan - Shanghai Jiao Tong University Joint Institute"]
  email: ''
  first_name: Ke
  last_name: Liu
  orcid: 0000-0003-3604-1026
- affiliations: [California Institute of Technology]
  email: ''
  first_name: Zachary
  last_name: M Gibbs
  orcid: ''
- affiliations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Samuel
  last_name: M. Blau
  orcid: 0000-0003-3132-3032
- affiliations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Brandon
  last_name: M. Wood
  orcid: 0000-0002-7251-337X
- affiliations: ["École Polytechnique Fédérale de Lausanne"]
  email: ''
  first_name: Kevin
  last_name: Maik Jablonka
  orcid: 0000-0003-4894-4660
- affiliations: []
  email: ''
  first_name: Kiran
  last_name: Mathew
  orcid: ''
- affiliations: [University of Wisconsin-Madison]
  email: ''
  first_name: Tam
  last_name: Mayeshiba
  orcid: 0000-0003-3445-7925
- affiliations: [Lawrence Berkeley National Laboratory, 'University of California, Berkeley']
  email: ''
  first_name: Matthew
  last_name: McDermott
  orcid: ''
- affiliations: [University of Delaware]
  email: ''
  first_name: Bharat
  last_name: Medasani
  orcid: 0000-0002-2073-4162
- affiliations: [Brookhaven National Laboratory]
  email: ''
  first_name: Fanchen
  last_name: Meng
  orcid: ''
- affiliations: [Brookhaven National Laboratory]
  email: ''
  first_name: Fanchen
  last_name: Meng
  orcid: ''
- affiliations: [Vilnius University Institute of Biotechnology]
  email: ''
  first_name: Andrius
  last_name: Merkys
  orcid: 0000-0002-7731-6236
- affiliations: ["Université catholique de Louvain"]
  email: ''
  first_name: Henrique
  last_name: Miranda
  orcid: 0000-0002-2843-0876
- affiliations: [University of Tokyo]
  email: ''
  first_name: Shishin
  last_name: Mo
  orcid: ''
- affiliations: [The University of Tokyo]
  email: ''
  first_name: Shishin
  last_name: Mo
  orcid: ''
- affiliations: [Toyota Research Institute]
  email: ''
  first_name: Joseph
  last_name: Montoya
  orcid: 0000-0001-5760-2860
- affiliations: [Lawrence Berkeley National Laboratory, 'University of California, Berkeley']
  email: ''
  first_name: Guy
  last_name: Moore
  orcid: ''
- affiliations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Jason
  last_name: Munro
  orcid: ''
- affiliations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Koki
  last_name: Muraoka
  orcid: 0000-0003-1830-7978
- affiliations: [Cornell University]
  email: ''
  first_name: Hillary
  last_name: Pan
  orcid: 0000-0002-4073-2180
- affiliations: [University of Cagliari]
  email: ''
  first_name: Drew
  last_name: Parsons
  orcid: 0000-0002-3956-6031
- affiliations: [Stanford University]
  email: ''
  first_name: Anjli
  last_name: Patel
  orcid: 0000-0002-0590-7619
- affiliations: [Frontier Institute of Science and Technology, Xi''an Jiaotong University,
    ' Massachusetts Institute of Technology']
  email: ''
  first_name: Kai
  last_name: Pei
  orcid: 0000-0001-7378-9987
- affiliations: []
  email: ''
  first_name: Ioannis
  last_name: Petousis
  orcid: ''
- affiliations: ["Université catholique de Louvain"]
  email: ''
  first_name: Guido
  last_name: Petretto
  orcid: ''
- affiliations: [Brookhaven National Laboratory]
  email: ''
  first_name: Xiaohui
  last_name: Qu
  orcid: 0000-0001-5651-8405
- affiliations: ['Materials, Imperial College London', ' Chemistry, University College London', 'Thomas Young Centre']
  email: ''
  first_name: "Se\xE1n"
  last_name: R. Kavanagh
  orcid: 0000-0003-4577-9647
- affiliations: ["Friedrich-Schiller-Universität Jena"]
  email: ''
  first_name: Jens
  last_name: "Ren\xE8 Suckert"
  orcid: ''
- affiliations: ["IMCN/MODL - Université catholique de Louvain"]
  email: ''
  first_name: Francesco
  last_name: Ricci
  orcid: 0000-0002-2677-7227
- affiliations: [University of Cambridge]
  email: ''
  first_name: Janosh
  last_name: Riebesell
  orcid: ''
- affiliations: [Department of Chemical & Biological Engineering, Northwestern University]
  email: ''
  first_name: Andrew
  last_name: Rosen
  orcid: 0000-0002-0141-7006
- affiliations: [University of California Berkeley]
  email: ''
  first_name: Ann
  last_name: Rutt
  orcid: 0000-0001-6534-454X
- affiliations: [Department of Materials Science and Engineering, Massachusetts Institute of Technology]
  email: ''
  first_name: Daniel
  last_name: Schwalbe-Koda
  orcid: 0000-0001-9176-0854
- affiliations: [UC Berkeley, LBL]
  email: ''
  first_name: Jimmy-Xuan
  last_name: Shen
  orcid: 0000-0002-2743-7531
- affiliations: [Kyoto University]
  email: ''
  first_name: Kohei
  last_name: Shinohara
  orcid: ''
- affiliations: [Lawrence Berkeley National Laboratory, 'University of California, Berkeley']
  email: ''
  first_name: Martin
  last_name: Siron
  orcid: 0000-0002-4562-7814
- affiliations: ['University of California, Berkeley', ' Lawrence Berkeley National Laboratory']
  email: ''
  first_name: Eric
  last_name: Sivonxay
  orcid: ''
- affiliations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Tess
  last_name: Smidt
  orcid: 0000-0001-5581-5344
- affiliations: [Karlsruhe Institute of Technology]
  email: ''
  first_name: Christopher
  last_name: Stihl
  orcid: ''
- affiliations: [University of North Carolina (Chapel Hill)]
  email: ''
  first_name: Jack
  last_name: Sundberg
  orcid: 0000-0001-5739-8919
- affiliations: [High Energy Accelerator Research Organization, SOKENDAI]
  email: ''
  first_name: Yuta
  last_name: Suzuki
  orcid: 0000-0002-0019-4832
- affiliations: [Microsoft]
  email: ''
  first_name: Leopold
  last_name: Talirz
  orcid: 0000-0002-1524-5903
- affiliations: [PKSHA]
  email: ''
  first_name: Yohei
  last_name: Tamura
  orcid: ''
- affiliations: [UC San Diego]
  email: ''
  first_name: Hanmei
  last_name: Tang
  orcid: 0000-0003-2659-7768
- affiliations: [Harvard University]
  email: ''
  first_name: Steven
  last_name: Torrisi
  orcid: 0000-0002-4283-8077
- affiliations: [University of California, San Diego]
  email: ''
  first_name: Richard
  last_name: Tran
  orcid: ''
- affiliations: [Carnegie Mellon University]
  email: ''
  first_name: Richard
  last_name: Tran
  orcid: 0000-0002-0308-2182
- affiliations: [ExoMatter GmbH]
  email: ''
  first_name: Josua
  last_name: Vieten
  orcid: 0000-0002-2060-2039
- affiliations: ['University of California, Berkeley']
  email: ''
  first_name: Sudarshan
  last_name: Vijay
  orcid: 0000-0001-8242-0161
- affiliations: ["Humboldt-Universität zu Berlin"]
  email: ''
  first_name: Christian
  last_name: Vorwerk
  orcid: 0000-0002-2516-9553
- affiliations: [IDA]
  email: ''
  first_name: Nicholas
  last_name: Wagner
  orcid: ''
- affiliations: [Institute for Defense Analyses]
  email: ''
  first_name: Nicholas
  last_name: Wagner
  orcid: ''
- affiliations: [Lawrence Berkeley National Laboratory, 'University of California, Berkeley']
  email: ''
  first_name: Evan
  last_name: Walter Clark Spotte-Smith
  orcid: 0000-0003-1554-197X
- affiliations: ['University of California, Berkeley']
  email: ''
  first_name: Amanda
  last_name: Wang
  orcid: ''
- affiliations: [University of California, San Diego]
  email: ''
  first_name: Zhenbin
  last_name: Wang
  orcid: ''
- affiliations: [Argonne National Laboratory]
  email: ''
  first_name: Logan
  last_name: Ward
  orcid: 0000-0002-1323-5939
- affiliations: [Argonne National Laboratory ]
  email: ''
  first_name: Logan
  last_name: 'Ward '
  orcid: 0000-0002-1323-5939
- affiliations: ["Université catholique de Louvain"]
  email: ''
  first_name: David
  last_name: Waroquiers
  orcid: ''
- affiliations: [Michigan Technological University]
  email: ''
  first_name: Kevin
  last_name: Waters
  orcid: ''
- affiliations: [Max Planck Institute for Solid State Research]
  email: ''
  first_name: Oskar
  last_name: Weser
  orcid: 0000-0001-5503-1195
- affiliations: [University of California Berkeley, Lawrence Berkeley National Lab]
  email: ''
  first_name: Nicholas
  last_name: Winner
  orcid: 0000-0003-3648-3959
- affiliations: [Consulting at donnywinston.com]
  email: ''
  first_name: Donny
  last_name: Winston
  orcid: 0000-0002-8424-0604
- affiliations: [Computational Materials Physics, Faculty of Physics, University of Vienna]
  email: ''
  first_name: Michael
  last_name: Wolloch
  orcid: 0000-0002-3419-5526
- affiliations: [Lawrence Berkeley National Laboratory, 'University of California, Berkeley', ' National Renewable Energy Laboratory']
  email: ''
  first_name: Rachel
  last_name: Woods-Robinson
  orcid: 0000-0001-5009-9510
- affiliations: ['University of California, Berkeley']
  email: ''
  first_name: Michael
  last_name: Wu
  orcid: ''
- affiliations: ['University of California, Berkeley']
  email: ''
  first_name: Yihan
  last_name: Xiao
  orcid: 0000-0002-4409-6898
- affiliations: [McGill University]
  email: ''
  first_name: Shuaishuai
  last_name: Yuan
  orcid: 0000-0001-8999-5814
- affiliations: ['Department of Chemistry, University of Bath']
  email: ''
  first_name: Pezhman
  last_name: Zarabadi-Poor
  orcid: 0000-0002-6377-7592
- affiliations: [Hebei Vocational University of Technology and Engineering]
  email: ''
  first_name: Hongsheng
  last_name: Zhao
  orcid: ''
- affiliations: [UNNC]
  email: ''
  first_name: Steven
  last_name: Zhu
  orcid: ''
- affiliations: [Parent]
  email: ''
  first_name: Nils
  last_name: Zimmermann
  orcid: 0000-0003-1063-5926
- affiliations: [SpaceX]
  email: ''
  first_name: Maarten
  last_name: de Jong
  orcid: 0000-0001-9945-1941
contributors: []
sponsoring_organizations: []
contributing_organizations: [University of California, San Diego]
research_organizations: [University of California, San Diego]
related_identifiers: []
software_title: pymatgen
acronym: pymatgen
description: |
  Python Materials Genomics (pymatgen) is a robust materials analysis
  code that defines core object representations for structures and molecules with
  support for many electronic structure codes. It is currently the core analysis
  code powering the Materials Project.
programming_languages: [Python]
documentation_url: https://pymatgen.org
country_of_origin: United States
licenses: [MIT License]
date_record_added: "2018-06-14"
date_record_updated: "2022-07-19"