2017-04-05
10:15 at HCP F 43.4

Nonequilibrium molecular dynamics simulation technique for polymers

Susmita Roy

Department of Theoretical Physics, Bayreuth, Germany

Beyond equilibrium Molecular dynamics is a powerful simulation tool. Including living system processes, decription of any kind of ow in nature can be explained with beyond equilibrium molecular dynamics simulation technique. Beyond equlibrium thermodynamics and statistical mechanics are the basics behind this MD simulation. I will discuss the role of nonequilibrium thermodynamics based on GENERIC (general equation for the nonequilibrium reversible-irreversible coupling), for the description of Molecular dynamics simulation.