Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023
Auteurs :
Poltavsky 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., (...)
Référence :
Chemical Science, vol. 16, n° 8, pp. 3720-3737, 2025
Lire la suite