Algorithms for Brownian dynamics |
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Authors: | ANDREA RICCI GIOVANNI CICCOTTI |
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Affiliation: | INFM and Dipartimento di Fisica Università ‘La Sapienza’ , Piazzale Aldo Moro 2, 00185, Roma, Italy |
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Abstract: | 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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