Geometric integrator for Langevin systems with quaternion-based rotational degrees of freedom and hydrodynamic interactions
(2017)
Journal Article
Davidchack, R., Ouldridge, T., & Tretyakov, M. (in press). Geometric integrator for Langevin systems with quaternion-based rotational degrees of freedom and hydrodynamic interactions. Journal of Chemical Physics, 147(22), Article 224103. https://doi.org/10.1063/1.4999771
We introduce new Langevin-type equations describing the rotational and translational motion of rigid bodies interacting through conservative and non-conservative forces, and hydrodynamic coupling. In the absence of non-conservative forces the Langevi... Read More about Geometric integrator for Langevin systems with quaternion-based rotational degrees of freedom and hydrodynamic interactions.