New paper published in the Journal of Chemical Theory and Computation:
Faster Molecular Dynamics with Neural Network Potentials via Distilled Multiple Time-Stepping and Non-Conservative Forces.
N. Gouraud, C. Cattin, T. Plé, O. Adjoua, L. Lagardère, J.-P. Piquemal, J. Chem. Theory. Comput., 2026, online [HAL][ArXiv]
DOI: 10.1021/acs.jctc.6c00653
