Path Factorization Approach to Stochastic Simulations

Athènes, Manuel; Bulatov, Vasily V.

doi:10.1103/PhysRevLett.113.230601

Title: Path Factorization Approach to Stochastic Simulations

Journal Article · Wed Dec 03 00:00:00 EST 2014 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.113.230601· OSTI ID:1180526

Athènes, Manuel; Bulatov, Vasily V.

View Accepted Manuscript (Publisher)

Cite

Export

Save

Sponsoring Organization:: USDOE

Grant/Contract Number:: 09-ERD-005; AC52-07NA27344

OSTI ID:: 1180526

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Vol. 113 Journal Issue: 23; ISSN 0031-9007

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 28 works

Citation information provided by
Web of Science

References (31)

Stochastic kinetic Monte Carlo algorithms for long-range Hamiltonians Mason, D. R.; Rudd, R. E.; Sutton, A. P. Computer Physics Communications, Vol. 160, Issue 2 https://doi.org/10.1016/j.cpc.2004.04.002	journal	July 2004
Rigorous synchronous relaxation algorithm for parallel kinetic Monte Carlo simulations of thin film growth Shim, Yunsic; Amar, Jacques G. Physical Review B, Vol. 71, Issue 11 https://doi.org/10.1103/PhysRevB.71.115436	journal	March 2005
First-passage time approach to kinetic Monte Carlo simulations of metal (100) growth Nandipati, Giridhar; Shim, Yunsic; Amar, Jacques G. Physical Review B, Vol. 81, Issue 23 https://doi.org/10.1103/PhysRevB.81.235415	journal	June 2010
A new algorithm for Monte Carlo simulation of Ising spin systems Bortz, A. B.; Kalos, M. H.; Lebowitz, J. L. Journal of Computational Physics, Vol. 17, Issue 1 https://doi.org/10.1016/0021-9991(75)90060-1	journal	January 1975
Path Summation Formulation of the Master Equation Sun, Sean X. Physical Review Letters, Vol. 96, Issue 21 https://doi.org/10.1103/PhysRevLett.96.210602	journal	June 2006
Dynamical integration of a Markovian web: A first passage time approach Boulougouris, Georgios C.; Theodorou, Doros N. The Journal of Chemical Physics, Vol. 127, Issue 8 https://doi.org/10.1063/1.2753153	journal	August 2007
Kinetic activation-relaxation technique Béland, Laurent Karim; Brommer, Peter; El-Mellouhi, Fedwa Physical Review E, Vol. 84, Issue 4 https://doi.org/10.1103/PhysRevE.84.046704	journal	October 2011
Sun Replies: Sun, Sean X. Physical Review Letters, Vol. 97, Issue 17 https://doi.org/10.1103/PhysRevLett.97.178902	journal	October 2006
Identification of novel diffusion cycles in B2 ordered phases by Monte Carlo simulation Athènes, M.; Bellon, P.; Martin, G. Philosophical Magazine A, Vol. 76, Issue 3 https://doi.org/10.1080/01418619708214023	journal	September 1997
Billion-atom synchronous parallel kinetic Monte Carlo simulations of critical 3D Ising systems Martínez, E.; Monasterio, P. R.; Marian, J. Journal of Computational Physics, Vol. 230, Issue 4 https://doi.org/10.1016/j.jcp.2010.11.006	journal	February 2011
Reduction of chemical reaction networks through delay distributions Barrio, Manuel; Leier, André; Marquez-Lago, Tatiana T. The Journal of Chemical Physics, Vol. 138, Issue 10 https://doi.org/10.1063/1.4793982	journal	March 2013
Stochastic method for accommodation of equilibrating basins in kinetic Monte Carlo simulations Siclen, Clinton DeW Van Journal of Physics: Condensed Matter, Vol. 19, Issue 7 https://doi.org/10.1088/0953-8984/19/7/072201	journal	February 2007
A Guide to First-Passage Processes Redner, Sidney https://doi.org/10.1017/CBO9780511606014	book	January 2001
T RANSITION P ATH S AMPLING : Throwing Ropes Over Rough Mountain Passes, in the Dark Bolhuis, Peter G.; Chandler, David; Dellago, Christoph Annual Review of Physical Chemistry, Vol. 53, Issue 1 https://doi.org/10.1146/annurev.physchem.53.082301.113146	journal	October 2002
Path ensembles and path sampling in nonequilibrium stochastic systems Harland, Ben; Sun, Sean X. The Journal of Chemical Physics, Vol. 127, Issue 10 https://doi.org/10.1063/1.2775439	journal	September 2007
Exact stochastic simulation of coupled chemical reactions Gillespie, Daniel T. The Journal of Physical Chemistry, Vol. 81, Issue 25 https://doi.org/10.1021/j100540a008	journal	December 1977
Graph transformation method for calculating waiting times in Markov chains Trygubenko, Semen A.; Wales, David J. The Journal of Chemical Physics, Vol. 124, Issue 23 https://doi.org/10.1063/1.2198806	journal	June 2006
Effects of atomic mobilities on phase separation kinetics: a Monte-Carlo study Athènes, M.; Bellon, P.; Martin, G. Acta Materialia, Vol. 48, Issue 10 https://doi.org/10.1016/S1359-6454(00)00060-4	journal	June 2000
Physical time scale in kinetic Monte Carlo simulations of continuous-time Markov chains Serebrinsky, Santiago A. Physical Review E, Vol. 83, Issue 3 https://doi.org/10.1103/PhysRevE.83.037701	journal	March 2011
Transition path sampling algorithm for discrete many-body systems Mora, Thierry; Walczak, Aleksandra M.; Zamponi, Francesco Physical Review E, Vol. 85, Issue 3 https://doi.org/10.1103/PhysRevE.85.036710	journal	March 2012
Calculating rate constants and committor probabilities for transition networks by graph transformation Wales, David J. The Journal of Chemical Physics, Vol. 130, Issue 20 https://doi.org/10.1063/1.3133782	journal	May 2009
Cu-precipitation kinetics in $α − Fe$ from atomistic simulations: Vacancy-trapping effects and Cu-cluster mobility Soisson, Frédéric; Fu, Chu-Chun Physical Review B, Vol. 76, Issue 21 https://doi.org/10.1103/PhysRevB.76.214102	journal	December 2007
Nineteen Dubious Ways to Compute the Exponential of a Matrix, Twenty-Five Years Later Moler, Cleve; Van Loan, Charles SIAM Review, Vol. 45, Issue 1 https://doi.org/10.1137/S00361445024180	journal	January 2003
Monte Carlo Algorithms with Absorbing Markov Chains: Fast Local Algorithms for Slow Dynamics Novotny, M. A. Physical Review Letters, Vol. 74, Issue 1 https://doi.org/10.1103/PhysRevLett.74.1	journal	January 1995
Diffusion on Demand to Control Precipitation Aging: Application to Al-Mg-Si Alloys Pogatscher, S.; Antrekowitsch, H.; Werinos, M. Physical Review Letters, Vol. 112, Issue 22 https://doi.org/10.1103/PhysRevLett.112.225701	journal	June 2014
Transition path sampling for discrete master equations with absorbing states Eidelson, Nathan; Peters, Baron The Journal of Chemical Physics, Vol. 137, Issue 9 https://doi.org/10.1063/1.4747338	journal	September 2012
An energy basin finding algorithm for kinetic Monte Carlo acceleration Puchala, Brian; Falk, Michael L.; Garikipati, Krishna The Journal of Chemical Physics, Vol. 132, Issue 13 https://doi.org/10.1063/1.3369627	journal	April 2010
Simulation de l'evolution des defauts dans un reseau par le methode de monte-carlo Lanore, Jeanne-Marie Radiation Effects, Vol. 22, Issue 3 https://doi.org/10.1080/10420157408230773	journal	January 1974
Temperature behavior of tracer diffusion in amorphous materials: A random-walk approach Limoge, Y.; Bocquet, J. L. Physical Review Letters, Vol. 65, Issue 1 https://doi.org/10.1103/PhysRevLett.65.60	journal	July 1990
Stochastic Processes in Physics and Chemistry Van Kampen, N. G.; Reinhardt, William P. Physics Today, Vol. 36, Issue 2 https://doi.org/10.1063/1.2915501	journal	February 1983
Path-Based Approach to Random Walks on Networks Characterizes How Proteins Evolve New Functions Manhart, Michael; Morozov, Alexandre V. Physical Review Letters, Vol. 111, Issue 8 https://doi.org/10.1103/PhysRevLett.111.088102	journal	August 2013

Similar Records

A Path Factorization Approach to Stochastic Simulations

Journal Article · Wed Oct 29 00:00:00 EDT 2014 · Physical Review Letters · OSTI ID:1180526

Athenes, M; Bulatov, V V

A simplified approach to uncertainty quantification for orbits in impulsive deflection scenarios

Journal Article · Thu Jul 03 00:00:00 EDT 2014 · Acta Astronautica · OSTI ID:1180526

Howley, Kirsten; Wasem, Joseph

Unraveling the Ion Adsorption Kinetics in Microporous Carbon Electrodes: A Multiscale Quantum-Continuum Simulation and Experimental Approach

Journal Article · Wed May 12 00:00:00 EDT 2021 · ACS Applied Materials and Interfaces · OSTI ID:1180526

Oyarzun, Diego I.; Zhan, Cheng; Hawks, Steven A.; +7 more

Title: Path Factorization Approach to Stochastic Simulations

Citation Formats

References (31)

Similar Records

Related Subjects