Yue-Qun Fu

ResNet-assisted coarse-grained modeling of CH4-CO2 hydrates: Linking structural descriptors to interaction potentials.

Gas hydrates are promising for energy storage, gas separation, and carbon sequestration. However, atomistic simulations of hydrate systems are computationally expensive at large scales. In this work, a machine-learning-assisted coarse-grained (CG) force field is developed for CH4-CO2 hydrate systems based on the Stilli...