#JChemPhys

Fast and flexible long-range models for atomistic machine learning Most atomistic machine learning (ML) models rely on a locality ansatz and decompose the energy into a sum of short-ranged, atom-centered contributions. This lea

📢 For those who missed the #preprint, torch-pme is now published in @aip.bsky.social #JChemPhys. #compchem classics like Ewald and P3M meet #machine learning. Read all about it here pubs.aip.org/aip/jcp/arti...