Ever get tired of tiny timesteps bottlenecking your MD simulations?
We show how to train a model for large-timestep Hamiltonian dynamics directly on standard MLFF datasets. ๐ก๐ผ ๐ฟ๐ฒ๐ณ๐ฒ๐ฟ๐ฒ๐ป๐ฐ๐ฒ ๐๐ฟ๐ฎ๐ท๐ฒ๐ฐ๐๐ผ๐ฟ๐ถ๐ฒ๐, ๐ป๐ผ ๐๐ป๐ฟ๐ผ๐น๐น๐ถ๐ป๐ด, ๐ป๐ผ ๐๐ฒ๐ฎ๐ฐ๐ต๐ฒ๐ฟ needed!
๐งต๐
3 months ago