For molecular dynamics to be useful for recovering macroscopically-relevant information (e.g. thermodynamic averages), it must be regulated by auxiliary control laws. Typically these would represent thermal or pressure controls. In this talk I will discuss a general family of stochastic-dynamic methods, including gentle thermostats which mildly ...
Creator:
Leimkuhler, Benedict (University of Edinburgh)
Created:
2009-05-22
Contributed By:
University of Minnesota, Institute for Mathematics and its Applications.