metadata.yml

---
code_id: 11962
open_source: true
repository_link: "https://github.com/materialsproject/pymatgen"
accessibility: "OS"
software_type: "S"
developers:
- affilations: ['University of California, Berkeley', ' Lawrence Berkeley National
      Laboratory']
  email: ''
  first_name: Iulia-Oxana
  last_name: Andriuc
  orcid: ''
- affilations: [Micron Technology Inc.]
  email: ''
  first_name: Saurabh
  last_name: Bajaj
  orcid: ''
- affilations: [Hitachi]
  email: ''
  first_name: Janakiraman
  last_name: Balachandran
  orcid: ''
- affilations: [Optum]
  email: ''
  first_name: Tonnam
  last_name: Balankura
  orcid: ''
- affilations: ['University of California, Berkeley']
  email: ''
  first_name: Luis
  last_name: Barroso-Luque
  orcid: ''
- affilations: [Tilde Materials Informatics]
  email: ''
  first_name: Evgeny
  last_name: Blokhin
  orcid: 0000-0002-5333-3947
- affilations: [The Pennsylvania State University]
  email: ''
  first_name: Brandon
  last_name: Bocklund
  orcid: 0000-0002-3264-8413
- affilations: [RWTH Aachen University, " Universit\xE9 catholique de Louvain"]
  email: ''
  first_name: Alexander
  last_name: Bonkowski
  orcid: 0000-0002-0525-4742
- affilations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Danny
  last_name: Broberg
  orcid: ''
- affilations: [University of Pennsylvania]
  email: ''
  first_name: Nathan
  last_name: C. Frey
  orcid: 0000-0001-5291-6131
- affilations: [University College London]
  email: ''
  first_name: Bruno
  last_name: Camino
  orcid: 0000-0002-9569-2219
- affilations: [Cornell University]
  email: ''
  first_name: Rees
  last_name: Chang
  orcid: ''
- affilations: ['University of California, San Diego']
  email: ''
  first_name: Chi
  last_name: Chen
  orcid: ''
- affilations: [Institute of Applied Physics and Computational Mathematics]
  email: ''
  first_name: Xin
  last_name: Chen
  orcid: 0000-0001-9643-0870
- affilations: ['University of California, San Diego']
  email: ''
  first_name: Yiming
  last_name: Chen
  orcid: 0000-0002-1501-5550
- affilations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Shreyas
  last_name: Cholia
  orcid: 0000-0002-4775-8201
- affilations: [National Institute of Standards and Technology]
  email: ''
  first_name: Kamal
  last_name: Choudhary
  orcid: 0000-0001-9737-8074
- affilations: ['UC Berkeley, Lawrence Berkeley National Laboratory']
  email: ''
  first_name: Orion
  last_name: Cohen
  orcid: ''
- affilations: [University of Florida]
  email: ''
  first_name: Conrad
  last_name: Cole
  orcid: ''
- affilations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: John
  last_name: Dagdelen
  orcid: ''
- affilations: [Light Bytes Technology Ltd.]
  email: ''
  first_name: Liam
  last_name: Deacon
  orcid: ''
- affilations: [D. E. Shaw Research]
  email: ''
  first_name: Elizabeth
  last_name: Decolvenaere
  orcid: 0000-0002-6350-3559
- affilations: ['Centre for Advanced 2D Materials, National University of Singapore']
  email: ''
  first_name: Miguel
  last_name: Dias Costa
  orcid: 0000-0001-8859-5763
- affilations: [University of Liverpool]
  email: ''
  first_name: Robert
  last_name: Dickson
  orcid: 0000-0003-3007-808X
- affilations: [Lawrence Berkeley National Laboratory, ' University of California,
      Berkeley']
  email: ''
  first_name: Alex
  last_name: Dunn
  orcid: 0000-0002-8567-1879
- affilations: [LBL]
  email: ''
  first_name: Shyam
  last_name: Dwarknath
  orcid: 0000-0003-0289-2607
- affilations: [Northwestern University]
  email: ''
  first_name: Maxwell
  last_name: Dylla
  orcid: ''
- affilations: ['University of California, Santa Barbara']
  email: ''
  first_name: Mark
  last_name: E. Turiansky
  orcid: 0000-0002-9154-3582
- affilations: [Swiss Federal Laboratories for Materials Science and Technology]
  email: ''
  first_name: Kristjan
  last_name: Eimre
  orcid: 0000-0002-3444-3286
- affilations: ['University of California, Berkeley', ' Lawrence Berkeley National
      Laboratory']
  email: ''
  first_name: Alex
  last_name: Epstein
  orcid: 0000-0002-9914-2388
- affilations: [UCLouvain]
  email: ''
  first_name: Matthew
  last_name: Evans
  orcid: 0000-0002-1182-9098
- affilations: ["CERMICS, Inria Paris and \xC9cole des Ponts ParisTech"]
  email: ''
  first_name: Michael
  last_name: F. Herbst
  orcid: 0000-0003-0378-7921
- affilations: ["Universit\xE9 catholique de Louvain"]
  email: ''
  first_name: Adam
  last_name: Fekete
  orcid: ''
- affilations: [Northwestern University]
  email: ''
  first_name: Dale
  last_name: Gaines II
  orcid: 0000-0001-9280-1240
- affilations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Alex
  last_name: Ganose
  orcid: 0000-0002-4486-3321
- affilations: ["Federal Institute for Materials Research and Testing (BAM), Berlin,
      Germany. Friedrich-Schiller-Universit\xE4t Jena, Germany."]
  email: ''
  first_name: Janine
  last_name: George
  orcid: 0000-0001-8907-0336
- affilations: [University of Pau and Pays de l'Adour]
  email: ''
  first_name: Salvato-Vallverdu
  last_name: Germain
  orcid: 0000-0003-1116-8776
- affilations: ["Universit\xE9 catholique de Louvain"]
  email: ''
  first_name: Matteo
  last_name: Giantomassi
  orcid: ''
- affilations: ["Universit\xE9 catholique de Louvain"]
  email: ''
  first_name: Yannick
  last_name: Gillet
  orcid: 0000-0001-6201-0317
- affilations: [University of Cambridge]
  email: ''
  first_name: Rhys
  last_name: Goodall
  orcid: 0000-0002-6589-1700
- affilations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Dan
  last_name: Gunter
  orcid: 0000-0002-2779-2744
- affilations: ['University of California, Berkeley']
  email: ''
  first_name: Ayush
  last_name: Gupta
  orcid: ''
- affilations: [University of Texas at Austin]
  email: ''
  first_name: Viet-Anh
  last_name: Ha
  orcid: 0000-0002-6665-1274
- affilations: [Los Alamos National Laboratory]
  email: ''
  first_name: Steven
  last_name: Hartman
  orcid: ''
- affilations: ["Universit\xE9 catholique de Louvain"]
  email: ''
  first_name: Geoffroy
  last_name: Hautier
  orcid: 0000-0003-1754-2220
- affilations: [Max Planck Institute for Solid State Research]
  email: ''
  first_name: Niclas
  last_name: Heinsdorf
  orcid: ''
- affilations: [West Virginia University]
  email: ''
  first_name: Uthpala
  last_name: Herath
  orcid: 0000-0002-4585-3002
- affilations: [West Virginia University]
  email: ''
  first_name: Uthpala
  last_name: 'Herath '
  orcid: 0000-0002-4585-3002
- affilations: ['']
  email: ''
  first_name: Tim
  last_name: Holme
  orcid: 0000-0003-3789-3511
- affilations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Matthew
  last_name: Horton
  orcid: 0000-0001-7777-8871
- affilations: ['University of California, Berkeley']
  email: ''
  first_name: Tingzheng
  last_name: Hou
  orcid: 0000-0002-7163-2561
- affilations: ['University of California, Berkeley']
  email: ''
  first_name: Yu
  last_name: Hsuan Liang
  orcid: ''
- affilations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Patrick
  last_name: Huck
  orcid: ''
- affilations: [University of Notre Dame]
  email: ''
  first_name: Michael
  last_name: Humbert
  orcid: 0000-0003-1966-6382
- affilations: [Toyota Research Institute]
  email: ''
  first_name: Linda
  last_name: Hung
  orcid: 0000-0002-1578-6152
- affilations: ['Scientific Computing Department, Science and Technology Facilities
      Council, UK']
  email: ''
  first_name: Adam
  last_name: J. Jackson
  orcid: 0000-0001-5272-6530
- affilations: [University of Bath]
  email: ''
  first_name: Benjamin
  last_name: J. Morgan
  orcid: 0000-0002-3056-8233
- affilations: [imec Leuven, ' European Theoretical Spectroscopy Facility']
  email: ''
  first_name: Michiel
  last_name: J. van Setten
  orcid: 0000-0003-0557-5260
- affilations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Anubhav
  last_name: Jain
  orcid: 0000-0001-5893-9967
- affilations: [SUNY Stony Brook]
  email: ''
  first_name: Jonathan
  last_name: James Denney
  orcid: 0000-0002-7615-997X
- affilations: [Los Alamos National Laboratory]
  email: ''
  first_name: Jan
  last_name: Janssen
  orcid: 0000-0001-9948-7119
- affilations: ["Max-Planck-Institut f\xFCr Eisenforschung GmbH"]
  email: ''
  first_name: Jan
  last_name: 'Janssen '
  orcid: 0000-0001-9948-7119
- affilations: [RWTH Aachen, " Forschungszentrum J\xFClich"]
  email: ''
  first_name: Henning
  last_name: "Jan\xDFen"
  orcid: 0000-0003-3558-9487
- affilations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Benjamin
  last_name: Justus
  orcid: ''
- affilations: [RIKEN]
  email: ''
  first_name: Eisuke
  last_name: Kawashima
  orcid: ''
- affilations: [NIOSH]
  email: ''
  first_name: Alan
  last_name: Kent Dozier
  orcid: ''
- affilations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Ryan
  last_name: Kingsbury
  orcid: 0000-0002-7168-3967
- affilations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Ryan
  last_name: Kingsbury
  orcid: 0000-0002-7168-3967
- affilations: [Erudita]
  email: ''
  first_name: Michael
  last_name: Kocher
  orcid: ''
- affilations: ['Institute of Metal Physics, UB RAS']
  email: ''
  first_name: Dmitry
  last_name: Korotin
  orcid: 0000-0002-4070-2045
- affilations: [Tokyo Institute of Technology]
  email: ''
  first_name: Yu
  last_name: Kumagai
  orcid: 0000-0003-0489-8148
- affilations: [Carnegie Mellon University]
  email: ''
  first_name: Rachel
  last_name: Kurchin
  orcid: 0000-0002-2147-4809
- affilations: ['Physics, University of California, Berkeley']
  email: ''
  first_name: Katherine
  last_name: Latimer
  orcid: ''
- affilations: [Tsinghua Univeristy]
  email: ''
  first_name: Weitang
  last_name: Li
  orcid: 0000-0002-8739-641X
- affilations: ['University of California, San Diego']
  email: ''
  first_name: Xiangguo
  last_name: Li
  orcid: 0000-0002-2062-3809
- affilations: [TSMC]
  email: ''
  first_name: Yuh-Chieh
  last_name: Lin
  orcid: ''
- affilations: ['University of California, Berkeley']
  email: ''
  first_name: Handong
  last_name: Ling
  orcid: ''
- affilations: ["University of Michigan \u2013 Shanghai Jiao Tong University Joint
      Institute"]
  email: ''
  first_name: Ke
  last_name: Liu
  orcid: 0000-0003-3604-1026
- affilations: [California Institute of Technology]
  email: ''
  first_name: Zachary
  last_name: M Gibbs
  orcid: ''
- affilations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Samuel
  last_name: M. Blau
  orcid: 0000-0003-3132-3032
- affilations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Brandon
  last_name: M. Wood
  orcid: 0000-0002-7251-337X
- affilations: ["\xC9cole Polytechnique F\xE9d\xE9rale de Lausanne"]
  email: ''
  first_name: Kevin
  last_name: Maik Jablonka
  orcid: 0000-0003-4894-4660
- affilations: ['']
  email: ''
  first_name: Kiran
  last_name: Mathew
  orcid: ''
- affilations: [University of Wisconsin-Madison]
  email: ''
  first_name: Tam
  last_name: Mayeshiba
  orcid: 0000-0003-3445-7925
- affilations: [Lawrence Berkeley National Laboratory, ' University of California,
      Berkeley']
  email: ''
  first_name: Matthew
  last_name: McDermott
  orcid: ''
- affilations: [University of Delaware]
  email: ''
  first_name: Bharat
  last_name: Medasani
  orcid: 0000-0002-2073-4162
- affilations: [Brookhaven National Laboratory]
  email: ''
  first_name: Fanchen
  last_name: Meng
  orcid: ''
- affilations: [Brookhaven National Laboratory]
  email: ''
  first_name: Fanchen
  last_name: Meng
  orcid: ''
- affilations: [Vilnius University Institute of Biotechnology]
  email: ''
  first_name: Andrius
  last_name: Merkys
  orcid: 0000-0002-7731-6236
- affilations: ["Universit\xE9 catholique de Louvain"]
  email: ''
  first_name: Henrique
  last_name: Miranda
  orcid: 0000-0002-2843-0876
- affilations: [University of Tokyo]
  email: ''
  first_name: Shishin
  last_name: Mo
  orcid: ''
- affilations: [The University of Tokyo]
  email: ''
  first_name: Shishin
  last_name: Mo
  orcid: ''
- affilations: [Toyota Research Institute]
  email: ''
  first_name: Joseph
  last_name: Montoya
  orcid: 0000-0001-5760-2860
- affilations: [Lawrence Berkeley National Laboratory, ' University of California,
      Berkeley']
  email: ''
  first_name: Guy
  last_name: Moore
  orcid: ''
- affilations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Jason
  last_name: Munro
  orcid: ''
- affilations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Koki
  last_name: Muraoka
  orcid: 0000-0003-1830-7978
- affilations: [Cornell University]
  email: ''
  first_name: Hillary
  last_name: Pan
  orcid: 0000-0002-4073-2180
- affilations: [University of Cagliari]
  email: ''
  first_name: Drew
  last_name: Parsons
  orcid: 0000-0002-3956-6031
- affilations: [Stanford University]
  email: ''
  first_name: Anjli
  last_name: Patel
  orcid: 0000-0002-0590-7619
- affilations: ['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
- affilations: ['']
  email: ''
  first_name: Ioannis
  last_name: Petousis
  orcid: ''
- affilations: ["Universit\xE9 catholique de Louvain"]
  email: ''
  first_name: Guido
  last_name: Petretto
  orcid: ''
- affilations: [Brookhaven National Laboratory]
  email: ''
  first_name: Xiaohui
  last_name: Qu
  orcid: 0000-0001-5651-8405
- affilations: ['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
- affilations: ["Friedrich-Schiller-Universit\xE4t Jena"]
  email: ''
  first_name: Jens
  last_name: "Ren\xE8 Suckert"
  orcid: ''
- affilations: ["IMCN/MODL - Universit\xE9 catholique de Louvain"]
  email: ''
  first_name: Francesco
  last_name: Ricci
  orcid: 0000-0002-2677-7227
- affilations: [University of Cambridge]
  email: ''
  first_name: Janosh
  last_name: Riebesell
  orcid: ''
- affilations: ['Department of Chemical & Biological Engineering, Northwestern University']
  email: ''
  first_name: Andrew
  last_name: Rosen
  orcid: 0000-0002-0141-7006
- affilations: [University of California Berkeley]
  email: ''
  first_name: Ann
  last_name: Rutt
  orcid: 0000-0001-6534-454X
- affilations: ['Department of Materials Science and Engineering, Massachusetts Institute
      of Technology']
  email: ''
  first_name: Daniel
  last_name: Schwalbe-Koda
  orcid: 0000-0001-9176-0854
- affilations: ['UC Berkeley, LBL']
  email: ''
  first_name: Jimmy-Xuan
  last_name: Shen
  orcid: 0000-0002-2743-7531
- affilations: [Kyoto University]
  email: ''
  first_name: Kohei
  last_name: Shinohara
  orcid: ''
- affilations: [Lawrence Berkeley National Laboratory, ' University of California,
      Berkeley']
  email: ''
  first_name: Martin
  last_name: Siron
  orcid: 0000-0002-4562-7814
- affilations: ['University of California, Berkeley', ' Lawrence Berkeley National
      Laboratory']
  email: ''
  first_name: Eric
  last_name: Sivonxay
  orcid: ''
- affilations: [Lawrence Berkeley National Laboratory]
  email: ''
  first_name: Tess
  last_name: Smidt
  orcid: 0000-0001-5581-5344
- affilations: [Karlsruhe Institute of Technology]
  email: ''
  first_name: Christopher
  last_name: Stihl
  orcid: ''
- affilations: [University of North Carolina (Chapel Hill)]
  email: ''
  first_name: Jack
  last_name: Sundberg
  orcid: 0000-0001-5739-8919
- affilations: ['High Energy Accelerator Research Organization, SOKENDAI']
  email: ''
  first_name: Yuta
  last_name: Suzuki
  orcid: 0000-0002-0019-4832
- affilations: [Microsoft]
  email: ''
  first_name: Leopold
  last_name: Talirz
  orcid: 0000-0002-1524-5903
- affilations: [PKSHA]
  email: ''
  first_name: Yohei
  last_name: Tamura
  orcid: ''
- affilations: [UC San Diego]
  email: ''
  first_name: Hanmei
  last_name: Tang
  orcid: 0000-0003-2659-7768
- affilations: [Harvard University]
  email: ''
  first_name: Steven
  last_name: Torrisi
  orcid: 0000-0002-4283-8077
- affilations: ['University of California, San Diego']
  email: ''
  first_name: Richard
  last_name: Tran
  orcid: ''
- affilations: [Carnegie Mellon University]
  email: ''
  first_name: Richard
  last_name: Tran
  orcid: 0000-0002-0308-2182
- affilations: [ExoMatter GmbH]
  email: ''
  first_name: Josua
  last_name: Vieten
  orcid: 0000-0002-2060-2039
- affilations: ['University of California, Berkeley']
  email: ''
  first_name: Sudarshan
  last_name: Vijay
  orcid: 0000-0001-8242-0161
- affilations: ["Humboldt-Universit\xE4t zu Berlin"]
  email: ''
  first_name: Christian
  last_name: Vorwerk
  orcid: 0000-0002-2516-9553
- affilations: [IDA]
  email: ''
  first_name: Nicholas
  last_name: Wagner
  orcid: ''
- affilations: [Institute for Defense Analyses]
  email: ''
  first_name: Nicholas
  last_name: Wagner
  orcid: ''
- affilations: [Lawrence Berkeley National Laboratory, ' University of California,
      Berkeley']
  email: ''
  first_name: Evan
  last_name: Walter Clark Spotte-Smith
  orcid: 0000-0003-1554-197X
- affilations: ['University of California, Berkeley']
  email: ''
  first_name: Amanda
  last_name: Wang
  orcid: ''
- affilations: ['University of California, San Diego']
  email: ''
  first_name: Zhenbin
  last_name: Wang
  orcid: ''
- affilations: [Argonne National Laboratory]
  email: ''
  first_name: Logan
  last_name: Ward
  orcid: 0000-0002-1323-5939
- affilations: ['Argonne National Laboratory ']
  email: ''
  first_name: Logan
  last_name: 'Ward '
  orcid: 0000-0002-1323-5939
- affilations: ["Universit\xE9 catholique de Louvain"]
  email: ''
  first_name: David
  last_name: Waroquiers
  orcid: ''
- affilations: [Michigan Technological University]
  email: ''
  first_name: Kevin
  last_name: Waters
  orcid: ''
- affilations: [Max Planck Institute for Solid State Research]
  email: ''
  first_name: Oskar
  last_name: Weser
  orcid: 0000-0001-5503-1195
- affilations: ['University of California Berkeley, Lawrence Berkeley National Lab']
  email: ''
  first_name: Nicholas
  last_name: Winner
  orcid: 0000-0003-3648-3959
- affilations: [Consulting at donnywinston.com]
  email: ''
  first_name: Donny
  last_name: Winston
  orcid: 0000-0002-8424-0604
- affilations: ['Computational Materials Physics, Faculty of Physics, University of
      Vienna']
  email: ''
  first_name: Michael
  last_name: Wolloch
  orcid: 0000-0002-3419-5526
- affilations: [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
- affilations: ['University of California, Berkeley']
  email: ''
  first_name: Michael
  last_name: Wu
  orcid: ''
- affilations: ['University of California, Berkeley']
  email: ''
  first_name: Yihan
  last_name: Xiao
  orcid: 0000-0002-4409-6898
- affilations: [McGill University]
  email: ''
  first_name: Shuaishuai
  last_name: Yuan
  orcid: 0000-0001-8999-5814
- affilations: ['Department of Chemistry, University of Bath']
  email: ''
  first_name: Pezhman
  last_name: Zarabadi-Poor
  orcid: 0000-0002-6377-7592
- affilations: ['Hebei Vocational University of Technology and Engineering No. 473,
      Quannan West Street, Xindu District, Xingtai, Hebei province']
  email: ''
  first_name: Hongsheng
  last_name: Zhao
  orcid: ''
- affilations: [UNNC]
  email: ''
  first_name: Steven
  last_name: Zhu
  orcid: ''
- affilations: [Parent]
  email: ''
  first_name: Nils
  last_name: Zimmermann
  orcid: 0000-0003-1063-5926
- affilations: [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"