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CHARKIN-GORBULIN Anton

University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)

ORCID
0009-0002-2449-0043
Main Referenced Co-authors
Chmiela, Stefan (3)
TKATCHENKO, Alexandre  (3)
Batatia, Ilyes (2)
Browning, Nicholas J (2)
Csányi, Gábor (2)
Main Referenced Keywords
Forcefields (3); Machine-learning (3); Artificial Intelligence (2); Atomistic simulations (2); atomistic simulations (2);
Main Referenced Disciplines
Chemistry (2)
Physical, chemical, mathematical & earth Sciences: Multidisciplinary, general & others (2)

Publications (total 4)

The most downloaded
138 downloads
CHARKIN-GORBULIN, A. (2026). Quantum Mechanics and Machine Learning for Organic Electronics: From Structure to Dynamics [Doctoral thesis, Unilu - University of Luxembourg]. ORBilu-University of Luxembourg. https://orbilu.uni.lu/handle/10993/67765 https://hdl.handle.net/10993/67765

The most cited

19 citations (WOS)

POLTAVSKYI, I., PULEVA, M., CHARKIN-GORBULIN, A., Fonseca, G., Batatia, I., Browning, N. J., Chmiela, S., Cui, M., Frank, J. T., Heinen, S., Huang, B., Käser, S., KABYLDA, A., Khan, D., Müller, C., Price, A. J. A., Riedmiller, K., Töpfer, K., Ko, T. W., ... TKATCHENKO, A. (19 February 2025). Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023. Chemical Science, 16 (8), 3738 - 3754. doi:10.1039/d4sc06530a https://hdl.handle.net/10993/64843

CHARKIN-GORBULIN, A. (2026). Quantum Mechanics and Machine Learning for Organic Electronics: From Structure to Dynamics [Doctoral thesis, Unilu - University of Luxembourg]. ORBilu-University of Luxembourg. https://orbilu.uni.lu/handle/10993/67765

CHARKIN-GORBULIN, A., KOKORIN, A., Sauceda, H. E., Chmiela, S., Quarti, C., Beljonne, D., TKATCHENKO, A., & Poltavsky, I. (16 July 2025). Atomic orbits in molecules and materials for improving machine learning force fields. Machine learning: science and technology, 6 (3), 035005. doi:10.1088/2632-2153/adea0b
Peer Reviewed verified by ORBi

POLTAVSKYI, I., CHARKIN-GORBULIN, A., PULEVA, M., Fonseca, G., Batatia, I., Browning, N. J., Chmiela, S., Cui, M., Frank, J. T., Heinen, S., Huang, B., Käser, S., KABYLDA, A., Khan, D., Müller, C., Price, A. J. A., Riedmiller, K., Töpfer, K., Ko, T. W., ... TKATCHENKO, A. (19 February 2025). Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023. Chemical Science, 16 (8), 3720 - 3737. doi:10.1039/d4sc06529h
Peer Reviewed verified by ORBi

POLTAVSKYI, I., PULEVA, M., CHARKIN-GORBULIN, A., Fonseca, G., Batatia, I., Browning, N. J., Chmiela, S., Cui, M., Frank, J. T., Heinen, S., Huang, B., Käser, S., KABYLDA, A., Khan, D., Müller, C., Price, A. J. A., Riedmiller, K., Töpfer, K., Ko, T. W., ... TKATCHENKO, A. (19 February 2025). Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023. Chemical Science, 16 (8), 3738 - 3754. doi:10.1039/d4sc06530a
Peer Reviewed verified by ORBi

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