SPPARKS, an acronym for Stochastic Parallel PARticle Kinetic Simulator. SPPARKS is a parallel Monte Carlo code for on-lattice and off-lattice models that includes algorithms for kinetic Monte Carlo (KMC), rejection kinetic Monte Carlo (rKMC), and Metropolis Monte Carlo (MMC). It implements several KMC solvers whose serial computational complexity ranges from O(N) to O(NlogN) to O(1) in the number of events N owned by a processor. In a generic sense the solvers catalog a list of ”events”, each with an associated probability, choose a single event to perform, and advance time by the correct amount. Events may be chosen individually at random, or by sweeping over sites in a more ordered fashion.

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  1. Johnson, Kyle L.; Rodgers, Theron M.; Underwood, Olivia D.; Madison, Jonathan D.; Ford, Kurtis R.; Whetten, Shaun R.; Dagel, Daryl J.; Bishop, Joseph E.: Simulation and experimental comparison of the thermo-mechanical history and 3D microstructure evolution of 304L stainless steel tubes manufactured using LENS (2018)
  2. Gourgoulias, Konstantinos; Katsoulakis, Markos A.; Rey-Bellet, Luc: Information criteria for quantifying loss of reversibility in parallelized KMC (2017)
  3. Wu, Baodong; Li, Shigang; Zhang, Yunquan; Nie, Ningming: Hybrid-optimization strategy for the communication of large-scale kinetic Monte Carlo simulation (2017)
  4. Gourgoulias, Konstantinos; Katsoulakis, Markos A.; Rey-Bellet, Luc: Information metrics for long-time errors in splitting schemes for stochastic dynamics and parallel kinetic Monte Carlo (2016)
  5. van der Kaap, N. J.; Koster, L. J. A.: Massively parallel kinetic Monte Carlo simulations of charge carrier transport in organic semiconductors (2016)
  6. Wang, Yan: Reliable kinetic Monte Carlo simulation based on random set sampling (2013)
  7. Arampatzis, Giorgos; Katsoulakis, Markos A.; Plecháč, Petr; Taufer, Michela; Xu, Lifan: Hierarchical fractional-step approximations and parallel kinetic Monte Carlo algorithms (2012)
  8. Bertolusso, R.; Kimmel, M.: Modeling spatial effects in early carcinogenesis: stochastic versus deterministic reaction-diffusion systems (2012)
  9. Kalligiannaki, Evangelia; Katsoulakis, Markos A.; Plecháč, Petr: Coupled coarse graining and Markov chain Monte Carlo for lattice systems (2012)