We propose a Monte Carlo method for efficiently sampling trajectories with fixed initial and final conditions in a system with discrete degrees of freedom. The method can be applied to any stochastic process with local interactions, including systems that are out of equilibrium. We combine the proposed path sampling algorithm with thermodynamic integration to calculate transition rates. We demonstrate our method on the well-studied two-dimensional Ising model with periodic boundary conditions, and show agreement with other results for both large and small system sizes. The method scales well with the system size, allowing one to simulate systems with many degrees of freedom, and providing complementary information with respect to other algorithms.

Transition path sampling algorithm for discrete many-body systems / Mora, T; Walczak, Am; Zamponi, F. - In: PHYSICAL REVIEW E, STATISTICAL, NONLINEAR, AND SOFT MATTER PHYSICS. - ISSN 1539-3755. - 85:3(2012). [10.1103/PhysRevE.85.036710]

Transition path sampling algorithm for discrete many-body systems

Zamponi F
2012

Abstract

We propose a Monte Carlo method for efficiently sampling trajectories with fixed initial and final conditions in a system with discrete degrees of freedom. The method can be applied to any stochastic process with local interactions, including systems that are out of equilibrium. We combine the proposed path sampling algorithm with thermodynamic integration to calculate transition rates. We demonstrate our method on the well-studied two-dimensional Ising model with periodic boundary conditions, and show agreement with other results for both large and small system sizes. The method scales well with the system size, allowing one to simulate systems with many degrees of freedom, and providing complementary information with respect to other algorithms.
2012
Transition path sampling; Monte Carlo; dynamics
01 Pubblicazione su rivista::01a Articolo in rivista
Transition path sampling algorithm for discrete many-body systems / Mora, T; Walczak, Am; Zamponi, F. - In: PHYSICAL REVIEW E, STATISTICAL, NONLINEAR, AND SOFT MATTER PHYSICS. - ISSN 1539-3755. - 85:3(2012). [10.1103/PhysRevE.85.036710]
File allegati a questo prodotto
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1693829
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 10
  • ???jsp.display-item.citation.isi??? 10
social impact