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papers.yaml
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---
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: http://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: 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'