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