On algorithms for Brownian dynamics computer simulations

• Autorzy: Brańka A. C.
• Języki publikacji: EN

Abstrakty

EN

Several Brownian Dynamics numerical schemes for treating stochastic differential equations at the position Langevin level are analyzed from the point of view of their algorithmic efficiency. The algorithms are tested using model colloidal fluid of particles interacting via the Yukawa potential. Limitations in the conventional Brownian Dynamics algorithm are shown and it is demonstrated that much better accuracy for dynamical and static quantities can be achieved with an algorithm based on the stochastic expansion and second-order stochastic Runge-Kutta algorithms. Mutual merits of the second-order algorithms are discussed.

• Wydawca: Institute of Bioorganic Chemistry Scientific Publishers OWN, Polish Academy of Sciences
• Czasopismo: Computational Methods in Science and Technology
• Rocznik: 1998
• Tom: Vol. 4
• Strony: 35--42
• Opis fizyczny: Bibliogr. 11 poz., rys.

Twórcy

autor

Brańka A. C.

• Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17/19, 60-179 Poznań, Poland