papers.yaml

---
references:
  - id: chiang_llamp_2024
    accessed:
      - year: 2024
        month: 1
        day: 31
    author:
      - family: Chiang
        given: Yuan
      - family: Chou
        given: Chia-Hong
      - family: Riebesell
        given: Janosh
    citation-key: chiang_llamp_2024
    issued:
      - year: 2024
        month: 1
        day: 30
    number: arXiv:2401.17244
    publisher: arXiv
    source: arXiv.org
    title: >-
      LLaMP: Large Language Model Made Powerful for High-fidelity Materials
      Knowledge Retrieval and Distillation
    title-short: LLaMP
    URL: https://arxiv.org/abs/2401.17244

  - id: deng_chgnet_2023
    accessed:
      - year: 2023
        month: 11
        day: 24
    author:
      - family: Deng
        given: Bowen
      - family: Zhong
        given: Peichen
      - family: Jun
        given: KyuJung
      - family: Riebesell
        given: Janosh
      - family: Han
        given: Kevin
      - family: Bartel
        given: Christopher J.
      - family: Ceder
        given: Gerbrand
    citation-key: deng_chgnet_2023
    container-title: Nature Machine Intelligence
    container-title-short: Nat Mach Intell
    DOI: 10.1038/s42256-023-00716-3
    ISSN: 2522-5839
    issue: '9'
    issued:
      - year: 2023
        month: 9
        day: 14
    language: en
    license: >-
      2023 This is a U.S. Government work and not under copyright protection in
      the US; foreign copyright protection may apply
    number: '9'
    page: 1031-1041
    publisher: Nature Publishing Group
    source: www.nature.com
    title: >-
      CHGNet as a pretrained universal neural network potential for
      charge-informed atomistic modelling
    URL: https://www.nature.com/articles/s42256-023-00716-3
    volume: '5'

  - id: evans_developments_2024
    accessed:
      - year: 2024
        month: 2
        day: 2
    author:
      - family: Evans
        given: Matthew L.
      - family: Bergsma
        given: Johan
      - family: Merkys
        given: Andrius
      - family: Andersen
        given: Casper W.
      - family: Andersson
        given: Oskar B.
      - family: Beltrán
        given: Daniel
      - family: Blokhin
        given: Evgeny
      - family: Boland
        given: Tara M.
      - family: Balderas
        given: Rubén Castañeda
      - family: Choudhary
        given: Kamal
      - family: Díaz
        given: Alberto Díaz
      - family: García
        given: Rodrigo Domínguez
      - family: Eckert
        given: Hagen
      - family: Eimre
        given: Kristjan
      - family: Montero
        given: María Elena Fuentes
      - family: Krajewski
        given: Adam M.
      - family: Mortensen
        given: Jens Jørgen
      - family: Duarte
        given: José Manuel Nápoles
      - family: Pietryga
        given: Jacob
      - family: Qi
        given: Ji
      - family: Carrillo
        given: Felipe de Jesús Trejo
      - family: Vaitkus
        given: Antanas
      - family: Yu
        given: Jusong
      - family: Zettel
        given: Adam
      - family: Castro
        given: Pedro Baptista
        non-dropping-particle: de
      - family: Carlsson
        given: Johan
      - family: Cerqueira
        given: Tiago F. T.
      - family: Divilov
        given: Simon
      - family: Hajiyani
        given: Hamidreza
      - family: Hanke
        given: Felix
      - family: Jose
        given: Kevin
      - family: Oses
        given: Corey
      - family: Riebesell
        given: Janosh
      - family: Schmidt
        given: Jonathan
      - family: Winston
        given: Donald
      - family: Xie
        given: Christen
      - family: Yang
        given: Xiaoyu
      - family: Bonella
        given: Sara
      - family: Botti
        given: Silvana
      - family: Curtarolo
        given: Stefano
      - family: Draxl
        given: Claudia
      - family: Cobas
        given: Luis Edmundo Fuentes
      - family: Hospital
        given: Adam
      - family: Liu
        given: Zi-Kui
      - family: Marques
        given: Miguel A. L.
      - family: Marzari
        given: Nicola
      - family: Morris
        given: Andrew J.
      - family: Ong
        given: Shyue Ping
      - family: Orozco
        given: Modesto
      - family: Persson
        given: Kristin A.
      - family: Thygesen
        given: Kristian S.
      - family: Wolverton
        given: Chris
      - family: Scheidgen
        given: Markus
      - family: Toher
        given: Cormac
      - family: Conduit
        given: Gareth J.
      - family: Pizzi
        given: Giovanni
      - family: Gražulis
        given: Saulius
      - family: Rignanese
        given: Gian-Marco
      - family: Armiento
        given: Rickard
    citation-key: evans_developments_2024
    DOI: 10.48550/arXiv.2402.00572
    issued:
      - year: 2024
        month: 2
        day: 1
    number: arXiv:2402.00572
    publisher: arXiv
    source: arXiv.org
    title: >-
      Developments and applications of the OPTIMADE API for materials discovery,
      design, and data exchange
    URL: http://arxiv.org/abs/2402.00572

  - id: horton_crystal_2023
    accessed:
      - year: 2023
        month: 2
        day: 16
    author:
      - family: Horton
        given: Matthew
      - family: Shen
        given: Jimmy-Xuan
      - family: Burns
        given: Jordan
      - family: Cohen
        given: Orion
      - family: Chabbey
        given: François
      - family: Ganose
        given: Alex M.
      - family: Guha
        given: Rishabh
      - family: Huck
        given: Patrick
      - family: Li
        given: Hamming Howard
      - family: McDermott
        given: Matthew
      - family: Montoya
        given: Joseph
      - family: Moore
        given: Guy
      - family: Munro
        given: Jason
      - family: O'Donnell
        given: Cody
      - family: Ophus
        given: Colin
      - family: Petretto
        given: Guido
      - family: Riebesell
        given: Janosh
      - family: Wetizner
        given: Steven
      - family: Wander
        given: Brook
      - family: Winston
        given: Donald
      - family: Yang
        given: Ruoxi
      - family: Zeltmann
        given: Steven
      - family: Jain
        given: Anubhav
      - family: Persson
        given: Kristin A.
    citation-key: horton_crystal_2023
    DOI: 10.48550/arXiv.2302.06147
    issued:
      - year: 2023
        month: 2
        day: 27
    number: arXiv:2302.06147
    publisher: arXiv
    source: arXiv.org
    title: >-
      Crystal Toolkit: A Web App Framework to Improve Usability and Accessibility
      of Materials Science Research Algorithms
    title-short: Crystal Toolkit
    URL: http://arxiv.org/abs/2302.06147

  - id: riebesell_foundation_2023
    accessed:
      - year: 2024
        month: 1
        day: 2
    author:
      - family: Riebesell
        given: Janosh
      - family: Batatia
        given: Ilyes
      - family: Benner
        given: Philipp
      - family: Chiang
        given: Yuan
      - family: Elena
        given: Alin M.
      - family: Kovács
        given: Dávid P.
      - family: Advincula
        given: Xavier R.
      - family: Asta
        given: Mark
      - family: Baldwin
        given: William J.
      - family: Bernstein
        given: Noam
      - family: Bhowmik
        given: Arghya
      - family: Blau
        given: Samuel M.
      - family: Cărare
        given: Vlad
      - family: Darby
        given: James P.
      - family: De
        given: Sandip
      - family: Della Pia
        given: Flaviano
      - family: Deringer
        given: Volker L.
      - family: Elijošius
        given: Rokas
      - family: El-Machachi
        given: Zakariya
      - family: Fako
        given: Edvin
      - family: Ferrari
        given: Andrea C.
      - family: Genreith-Schriever
        given: Annalena
      - family: George
        given: Janine
      - family: Goodall
        given: Rhys E. A.
      - family: Grey
        given: Clare P.
      - family: Han
        given: Shuang
      - family: Handley
        given: Will
      - family: Heenen
        given: Hendrik H.
      - family: Hermansson
        given: Kersti
      - family: Holm
        given: Christian
      - family: Jaafar
        given: Jad
      - family: Hofmann
        given: Stephan
      - family: Jakob
        given: Konstantin S.
      - family: Jung
        given: Hyunwook
      - family: Kapil
        given: Venkat
      - family: Kaplan
        given: Aaron D.
      - family: Karimitari
        given: Nima
      - family: Kroupa
        given: Namu
      - family: Kullgren
        given: Jolla
      - family: Kuner
        given: Matthew C.
      - family: Kuryla
        given: Domantas
      - family: Liepuoniute
        given: Guoda
      - family: Margraf
        given: Johannes T.
      - family: Magdău
        given: Ioan-Bogdan
      - family: Michaelides
        given: Angelos
      - family: Moore
        given: J. Harry
      - family: Naik
        given: Aakash A.
      - family: Niblett
        given: Samuel P.
      - family: Norwood
        given: Sam Walton
      - family: O'Neill
        given: Niamh
      - family: Ortner
        given: Christoph
      - family: Persson
        given: Kristin A.
      - family: Reuter
        given: Karsten
      - family: Rosen
        given: Andrew S.
      - family: Schaaf
        given: Lars L.
      - family: Schran
        given: Christoph
      - family: Sivonxay
        given: Eric
      - family: Stenczel
        given: Tamás K.
      - family: Svahn
        given: Viktor
      - family: Sutton
        given: Christopher
      - family: Oord
        given: Cas
        non-dropping-particle: van der
      - family: Varga-Umbrich
        given: Eszter
      - family: Vegge
        given: Tejs
      - family: Vondrák
        given: Martin
      - family: Wang
        given: Yangshuai
      - family: Witt
        given: William C.
      - family: Zills
        given: Fabian
      - family: Csányi
        given: Gábor
    citation-key: riebesell_foundation_2023
    container-title: arXiv.org
    issued:
      - year: 2023
        month: 12
        day: 29
    language: en
    title: A foundation model for atomistic materials chemistry
    URL: https://arxiv.org/abs/2401.00096v1

  - id: riebesell_matbench_2023
    accessed:
      - year: 2023
        month: 11
        day: 24
    author:
      - family: Riebesell
        given: Janosh
      - family: Goodall
        given: Rhys E. A.
      - family: Jain
        given: Anubhav
      - family: Benner
        given: Philipp
      - family: Persson
        given: Kristin A.
      - family: Lee
        given: Alpha A.
    citation-key: riebesell_matbench_2023
    DOI: 10.48550/arXiv.2308.14920
    issued:
      - year: 2023
        month: 8
        day: 28
    number: arXiv:2308.14920
    publisher: arXiv
    source: arXiv.org
    title: >-
      Matbench Discovery - An evaluation framework for machine learning crystal
      stability prediction
    URL: http://arxiv.org/abs/2308.14920

  - id: riebesell_pushing_2024
    accessed:
      - year: 2024
        month: 1
        day: 12
    author:
      - family: Riebesell
        given: Janosh
      - family: Surta
        given: T. Wesley
      - family: Goodall
        given: Rhys
      - family: Gaultois
        given: Michael
      - family: Lee
        given: Alpha A.
    citation-key: riebesell_pushing_2024
    container-title: arXiv.org
    issued:
      - year: 2024
        month: 1
        day: 11
    language: en
    title: >-
      Pushing the Pareto front of band gap and permittivity: ML-guided search for
      dielectric materials
    title-short: Pushing the Pareto front of band gap and permittivity
    URL: https://arxiv.org/abs/2401.05848v1

  - id: rosen_jobflow_2024
    accessed:
      - year: 2024
        month: 1
        day: 7
    author:
      - family: Rosen
        given: Andrew S.
      - family: Gallant
        given: Max
      - family: George
        given: Janine
      - family: Riebesell
        given: Janosh
      - family: Sahasrabuddhe
        given: Hrushikesh
      - family: Shen
        given: Jimmy-Xuan
      - family: Wen
        given: Mingjian
      - family: Evans
        given: Matthew L.
      - family: Petretto
        given: Guido
      - family: Waroquiers
        given: David
      - family: Rignanese
        given: Gian-Marco
      - family: Persson
        given: Kristin A.
      - family: Jain
        given: Anubhav
      - family: Ganose
        given: Alex M.
    citation-key: rosen_jobflow_2024
    container-title: Journal of Open Source Software
    DOI: 10.21105/joss.05995
    ISSN: 2475-9066
    issue: '93'
    issued:
      - year: 2024
        month: 1
        day: 7
    language: en
    page: '5995'
    source: joss.theoj.org
    title: 'Jobflow: Computational Workflows Made Simple'
    title-short: Jobflow
    URL: https://joss.theoj.org/papers/10.21105/joss.05995
    volume: '9'