Charkin-Gorbulin, Anton https://orcid.org/0009-0002-2449-0043
Kokorin, Artem https://orcid.org/0009-0005-8048-2293
Sauceda, Huziel E https://orcid.org/0000-0001-6091-3408
Chmiela, Stefan https://orcid.org/0000-0003-0892-952X
Quarti, Claudio https://orcid.org/0000-0002-5488-1216
Beljonne, David https://orcid.org/0000-0001-5082-9990
Tkatchenko, Alexandre https://orcid.org/0000-0002-1012-4854
Poltavsky, Igor https://orcid.org/0000-0002-3188-7017
Funding for this research was provided by:
Executive Agency (101054629)
Fonds De La Recherche Scientifique - FNRS (1910247)
Fonds National de la Recherche Luxembourg (C19/MS/13718694/QML-FLEX)
M-ERA.NET (PHANTASTIC)
Dirección General de Asuntos del Personal Académico, Universidad Nacional Autónoma de México (CF-2023-I-468)
LuxProvide (MeluXina)
European Research Council (101054629 (FIT-MOL))
Bundesministerium für Bildung und Forschung (01IS18037A)
Article Title: Atomic orbits in molecules and materials for improving machine learning force fields
Journal Title: Machine Learning: Science and Technology
Article Type: paper
Copyright Information: © 2025 The Author(s). Published by IOP Publishing Ltd
Publication dates
Date Received: 2025-03-28
Date Accepted: 2025-06-30
Online publication date: 2025-07-16