SimPoly: Simulation of Polymers with Machine Learning Force Fields Derived from First Principles
Gregor Simm, Jean Helie, Hannes Schulz, Yicheng Chen, Guillem Simeon, Anna Kuzina, Ernesto Martinez-Baez, Piero Gasparotto, Gabriele Tocci, Chi Chen, Yatao Li, Lixue Cheng, Zun Wang, Bichlien Nguyen, Jake Smith, Lixin Sun
October 2025