py4sci

KMCLib 1.0.0 documentation

References

«  Non-API code   ::   Contents   ::   About  »

References

[Ref.1]A. F. Voter, in “Radiation Effects in Solids”, edited by K. E. Sickafus and E. A. Kotomin (Springer, NATO Publishing Unit, Dordrecht, The Netherlands, 2005). A pdf of the text can be found here: http://www.ipam.ucla.edu/publications/matut/matut_5898_preprint.pdf
[Ref.2]A. B. Bortz, M. H. Kalos, J. L. Lebowitz, “A New Algorithm for Monte Carlo Simulations of Ising Spin Systems”, J. Comput. Phys. 17 (1975) 10
[Ref.3]Daniel T. Gillespie, “A General Method for Numerically Simulating the Stochastic Time Evolution of Coupled Chemical Reactions”, J. Comput. Phys. 22 (1976) 403
[Ref.4]Corbett C. Battaile, “The Kinetic Monte Carlo method: Foundation, implementation and application”, Comput. Methids Appl. Mech. Engrg. 197 (2008) 3386
[Ref.5]Michail Stamatakis, Dionisios G. Vlachos, “Unraveling the Complexity of Catalytic Reactions via Kinetic Monte Carlo Simulation: Current Status and Frontiers”, ACS Catal. 2 (2012) 2648
[Ref.6]Daniel T. Gillespie, Andreas Hellander, Linda R. Petzold, “Perspective: Stochastic algorithms for chemical kinetics”, J. Chem. Phys. 138 (2013) 170901
[Ref.7]Mikael Leetmaa, Natalia V. Skorodumova, “Mean square displacements with error estimates from non-equidistant time-step kinetic Monte Carlo simulations”, (submitted)
[Ref.8]Mikael Leetmaa, Natalia V. Skorodumova, “KMCLib: A general framework for lattice kinetic Monte Carlo (KMC) simulations”, Comput. Phys. Commun. (2014) DOI: 10.1016/j.cpc.2014.04.017

«  Non-API code   ::   Contents   ::   About  »