2 papers
physics.chem-ph2023
Anisotropic Interfacial Force Field for Interfaces of Water with Hexagonal Boron Nitride
Zhicheng Feng, Zhangke Lei, Yuanpeng Yao +3
This study introduces an anisotropic interfacial potential that provides an accurate description of the van der Waals (vdW) interactions between water and hexagonal boron nitride (…
physics.chem-ph2022
Registry-Dependent Potential for interfaces of water with graphene
Zhicheng Feng, Yuanpeng Yao, Jianxin Liu +3
An anisotropic interlayer potential that can accurately describe the van der Waals interaction of the water-graphene interface is presented. The force field is benchmarked against…