Using metadynamics to build neural network potentials for reactive events: th...

The study of chemical reactions in aqueous media is very important for its implications in several fields of science, from biology to industrial processes. However, modeling...针对水介质中化学反应的研究具有极为重要的科学意义，其应用范畴涵盖从生物学乃至工业流程在内的多个科学领域。然而，建模……