The Smoluchowski Thermostat

Thermostats are dynamical equations used to model thermodynamic variables such as temperature in molecular simulations. For computationally intensive problems such as the simulation of biomolecules, we propose to average over fast momentum degrees of freedom and construct thermostat equations in configuration space. The equations of motion are analogous to Smoluchowski dynamics in the method of stochastic differential equations. Thus we pose and solve in part the Kramers problem for the deterministic thermostat method