440 citations · 905 across the 22 of their papers we have counts for
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Geometric integrator for Langevin systems with quaternion-based rotational degrees of freedom and hydrodynamic interactions
Ruslan L. Davidchack, Thomas E. Ouldridge, Michael V. Tretyakov
We introduce new Langevin-type equations describing the rotational and translational motion of rigid bodies interacting through conservative and non-conservative forces, and hydrod…
New Langevin and Gradient Thermostats for Rigid Body Dynamics
R. L. Davidchack, T. E. Ouldridge, M. V. Tretyakov
We introduce two new thermostats, one of Langevin type and one of gradient (Brownian) type, for rigid body dynamics. We formulate rotation using the quaternion representation of an…
Langevin Thermostat for Rigid Body Dynamics
Ruslan L. Davidchack, Richard Handel, M. V. Tretyakov
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 gradien…