Speaker
Prof. YingChih Chiang ( 江瑛芝)
Department of Physics, The Chinese University of Hong Kong (CUHK)
Date 2017.02.17(Fri)
Time 14:00
Place S4-625
Abstract:
Molecular dynamics simulations based on Newtonian mechanics are often used to study biological processes, such as protein-ligand binding or trans-membrane properties of a nanoparticle. Although this method has achieved huge success, there are experiments that can only be explained by quantum mechanics. In this talk, we will discuss some examples where the classical picture completely breaks down as well as how having the quantum picture in mind can aid the free energy calculations under the framework of classical mechanics.