DeePCG: Constructing coarse-grained models via deep neural networks

[1 ]Program in Applied and Computational Mathematics, Princeton University, Princeton, New Jersey 08544, USA

[2 ]Institute of Applied Physics and Computational Mathematics, Fenghao East Road 2, Beijing 100094, People’s Republic of China and CAEP Software Center for High Performance Numerical Simulation, Huayuan Road 6, Beijing 100088, People’s Republic of China

[3 ]Department of Chemistry, Department of Physics, Program in Applied and Computational Mathematics, Princeton Institute for the Science and Technology of Materials, Princeton University, Princeton, New Jersey 08544, USA

[4 ]Department of Mathematics and Program in Applied and Computational Mathematics, Princeton University, Princeton, New Jersey 08544, USA and Beijing Institute of Big Data Research, Beijing 100871, People’s Republic of China