Monte Carlo simulations with a generalized detailed balance using the quantum-classical isomorphism
| dc.creator | Leifman, Yefim I. | |
| dc.date | 2006-10-23 | |
| dc.date | 2007-10-29 | |
| dc.date.accessioned | 2026-07-07T08:38:57Z | |
| dc.date.available | 2026-07-07T08:38:57Z | |
| dc.description | The main idea of this work is that the quantum-classical isomorphism is a suitable framework for a generalization of the notion of detailed balance. The quantum-classical isomorphism is used in order to develop a Monte Carlo simulation with controlled deviation from detailed balance, that is with a generalized detailed balance and known relative entropy with respect to the reference process at each point. In order to apply this method to molecular simulations a new algorithm for realization of a partial chirotope, based on linear programming, a new distance geometry algorithm and a new all-atom off-lattice Monte Carlo method are proposed. | |
| dc.identifier | https://arxiv.org/abs/math/0610696 | |
| dc.identifier | http://arxiv.org/abs/math/0610696 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/140918 | |
| dc.subject | Probability | |
| dc.title | Monte Carlo simulations with a generalized detailed balance using the quantum-classical isomorphism | |
| dc.type | text |