Theoretical understanding of bio-interfaces/bio-surfaces by simulation: A mini review

Computer simulation has become an increasingly popular research method in materials science. In this review, we discuss the applications of computer simulation to surfaces and interfaces with different simulation methods. To restrict the discussion somewhat, we focus primarily on bio-interface/bio-surface interactions. First we discuss why and how atomistic level simulation can be used to study surface and interface interaction. Then, the interface and surface interactions studied by different simulation methods are explored. Some thoughts on the future of modeling and simulation in bio-interface/bio-surface applications are presented.