Fast, Modular, and Differentiable Framework for Machine Learning-Enhanced Molecular Simulations.

Sat, 01 Mar 2025 00:00:00 +0100

Henrik Christiansen, Takashi Maruyama, Federico Errica, Viktor Zaverkin, Makoto Takamoto, Francesco Alesiani:
Fast, Modular, and Differentiable Framework for Machine Learning-Enhanced Molecular Simulations. CoRR abs/2503.20541 (2025)