Exact distributed kinetic Monte Carlo simulations for on-lattice chemical kinetics: lessons learnt from medium-and large-scale benchmarks

GD Savva, RL Benson, IA Christidi… - … Transactions of the …, 2023 - royalsocietypublishing.org
system capable of exhibiting spiral wave pattern formation. This system is a lattice-based
variant of the Brusselator system … in synchronous (conservative) schemes for parallel discrete-…

Crystal-KMC: parallel software for lattice dynamics monte carlo simulation of metal materials

J Li, P Wei, S Yang, J Wu, P Liu… - Tsinghua Science and …, 2018 - ieeexplore.ieee.org
parallel algorithm that uses time synchronization to simulate a continuous diffusion reaction
system… In this study, we determined that the parallel lattice kinetic Monte Carlo software …

A parallel discrete dislocation dynamics/kinetic Monte Carlo method to study non-conservative plastic processes

C McElfresh, N Bertin, S Aubry, J Marian - Computational Materials Science, 2022 - Elsevier
… large systems, we have implemented it in the massively-parallel … discrete kinetics to continuum
solutions for several cases. … For that reason, they can be flexibly used to synchronize time …

Off-lattice kinetic monte carlo methods

M Trochet, N Mousseau, LK Béland… - Handbook of materials …, 2020 - Springer
… Martínez E, Marian J, Kalos MH, Perlado JM (2008) Synchronous parallel kinetic Monte
Carlo for continuum diffusion-reaction systems. J Comput Phys 227(8):3804–3823 McKay BD, …

Accurate meso-scale dynamics by kinetic Monte Carlo simulation via free energy multicanonical sampling: oxygen vacancy diffusion in BaTiO3

H Nakata, M Araidai, S Bai, H Hirano… - Science and Technology …, 2021 - Taylor & Francis
… We begin with a short review of canonical Monte Carlo (CA-MC) simulation in atomic system.
In … A remaining problem of the synchronous approach is an over-selection of events which …

Kinetic Monte Carlo Algorithms for Nuclear Materials Applications

JP Balbuena, MJ Caturla, E Martínez - Handbook of Materials Modeling …, 2020 - Springer
… for the case of OKMC such as the synchronous parallel algorithm of Martinez et al. (2008) or
… first-passage kinetic Monte Carlo algorithm for complex diffusionreaction systems. J Comp …

An overview: multiscale simulation in understanding the radiation damage accumulation of reactor materials

D Chen, X He, G Chu, X He, L Jia, Z Wang… - …, 2021 - journals.sagepub.com
… a synchronous parallel KMC (spKMC) algorithm for continuum diffusion-reaction systems, …
Synchronous parallel kinetic Monte Carlo: Implementation and results for object and lattice …

Optimizing parallel kinetic Monte Carlo simulation by communication aggregation and scheduling

B Wu, S Li, Y Zhang - Big Data Technology and Applications: First …, 2016 - Springer
… The main idea of KMC shows the evolution of a dynamical system with simulating the system
… semirigorous synchronous sublattice algorithm for parallel kinetic Monte Carlo simulations. …

A massively parallel spatially resolved stochastic cluster dynamics method for simulations of irradiated materials

D Chen, J Hu, S Yang, X He, Y Li, S Ren, H Bai… - Computer Physics …, 2024 - Elsevier
… It is a kinetic Monte Carlo-based method for stochastically … -scale complex systems, we
propose a massively parallel SRSCD … We propose an adaptive synchronous algorithm to balance …

[HTML][HTML] Massively parallel kinetic Monte Carlo simulations of charge carrier transport in organic semiconductors

NJ van der Kaap, LJA Koster - Journal of Computational Physics, 2016 - Elsevier
Kinetic Monte Carlo (KMC) methods are widely used for simulating the time evolution and
equilibrium behaviour of systemsparallel, time synchronous, lattice based Kinetic Monte Carlo