Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023
Authors :
Poltavsky 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., (...)
Reference :
Chemical Science, vol. 16, n° 8, pp. 3738-3754, 2025
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