Neural Network Based in Silico Simulation of Combustion Reactions

1 code implementation • 27 Nov 2019 • Jinzhe Zeng, Liqun Cao, Mingyuan Xu, Tong Zhu, John ZH Zhang

Through further development, the algorithms in this study can be used to explore and discovery reaction mechanisms of many complex reaction systems, such as combustion, synthesis, and heterogeneous catalysis without any predefined reaction coordinates and elementary reaction steps.

Atomic Forces