Professor Gabor Csanyi

Professor

Publications

Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Molecular Dynamics in the TEA Challenge 2023

I Poltavsky, M Puleva, A Charkin-Gorbulin, G Cordeiro Fonseca, I Batatia, NJ Browning, S Chmiela, M Cui, JT Frank, S Heinen, B Huang, S Käser, A Kabylda, D Khan, C Müller, AJA Price, K Riedmiller, K Töpfer, T Wai Ko, M Meuwly, M Rupp, G Csanyi, OA von Lilienfeld, JT Margraf, K-R Müller, A Tkatchenko

(2024)

(doi: 10.26434/chemrxiv-2024-jhm5l)

Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Model Analysis in the TEA Challenge 2023

I Poltavsky, A Charkin-Gorbulin, M Puleva, G Cordeiro Fonseca, I Batatia, NJ Browning, S Chmiela, M Cui, JT Frank, S Heinen, B Huang, S Käser, A Kabylda, D Khan, C Müller, AJA Price, K Riedmiller, K Töpfer, T Wai Ko, M Meuwly, M Rupp, G Csanyi, OA von Lilienfeld, JT Margraf, K-R Müller, A Tkatchenko

(2024)

(doi: 10.26434/chemrxiv-2024-ctdm3)

Symmetry Breaking in the Superionic Phase of Silver-Iodide

A Hajibabaei, WJ Baldwin, G Csányi, SJ Cox

(2024)

(doi: 10.48550/arxiv.2409.15217)

Transferability of datasets between Machine-Learning Interaction Potentials

SP Niblett, P Kourtis, I-B Magdău, CP Grey, G Csányi

(2024)

(doi: 10.48550/arxiv.2409.05590)

Efficient Composite Infrared Spectroscopy: Combining the Doubly-Harmonic Approximation with Machine Learning Potentials

P Pracht, Y Pillai, V Kapil, G Csányi, N Gönnheimer, M Vondrák, JT Margraf, DJ Wales