4.4 Article

Algorithms for Brownian dynamics

Journal

MOLECULAR PHYSICS
Volume 101, Issue 12, Pages 1927-1931

Publisher

TAYLOR & FRANCIS LTD
DOI: 10.1080/0026897031000108113

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We derive a class of efficient and stable algorithms of Brownian dynamics using a formula, derived by Suzuki, to express time-ordered operators. These algorithms are simpler than those derived by Helfand from Runge-Kutta algorithms and, like Helfand algorithms, can be combined with SHAKE to describe the Brownian dynamics of constrained systems.

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