Langevin Thermostat for Rigid Body Dynamics

Details Langevin Thermostat for Rigid Body Dynamics Langevin Thermostat for Rigid Body Dynamics

2009-01-29

arxiv.org/abs/0901.4725v1

Physics

Computational Physics

15 pages, 13 figures, 1 table

Scientific paper

We present a new method for isothermal rigid body simulations using the quaternion representation and Langevin dynamics. It can be combined with the traditional Langevin or gradient (Brownian) dynamics for the translational degrees of freedom to correctly sample the NVT distribution in a simulation of rigid molecules. We propose simple, quasi-symplectic second-order numerical integrators and test their performance on the TIP4P model of water. We also investigate the optimal choice of thermostat parameters.

Affiliated with

Also associated with

No associations

Rating

Langevin Thermostat for Rigid Body Dynamics does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Langevin Thermostat for Rigid Body Dynamics, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Langevin Thermostat for Rigid Body Dynamics will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-13907