Water-Graphene non-bonded interaction parameters: Development and influence on molecular dynamics simulations
Shouwei Liao, Qia Ke, Yanying Wei, Libo Li
Topics & Concepts
GrapheneMolecular dynamicsMaterials scienceWater modelChemical physicsNanotechnologyChemistryComputational chemistryNanopore and Nanochannel Transport StudiesGraphene research and applicationsCarbon Nanotubes in Composites