physics.chem-ph cond-mat.dis-nn physics.atm-clus physics.comp-ph
Extending the atomic decomposition and many-body representation, a chemistry-motivated monomer-centered approach for machine learning potentials
Qi Yu Ruitao Ma Chen Qu Riccardo Conte Apurba Nandi Priyanka Pandey Paul L. Houston Dong H. Zhang Joel M. Bowman