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-…
variant of the Brusselator system … in synchronous (conservative) schemes for parallel discrete-…
A parallel discrete dislocation dynamics/kinetic Monte Carlo method to study non-conservative plastic processes
… 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 …
solutions for several cases. … For that reason, they can be flexibly used to synchronize time …
Off-lattice kinetic Monte Carlo methods
… 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, …
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 …
In … A remaining problem of the synchronous approach is an over-selection of events which …
Kinetic Monte Carlo Algorithms for Nuclear Materials Applications
… 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 diffusion–reaction systems. J Comp …
… first-passage kinetic Monte Carlo algorithm for complex diffusion–reaction systems. J Comp …
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 …
propose a massively parallel SRSCD … We propose an adaptive synchronous algorithm to balance …
Multiscale modeling in chemical vapor deposition processes: models and methodologies
… (MD) and kinetic Monte Carlo (KMC), and continuum scale … diffusion–reaction equation
for two-molecule CVD systems. … coefficient in the continuum diffusion–reaction models (see …
for two-molecule CVD systems. … coefficient in the continuum diffusion–reaction models (see …
An overview: multiscale simulation in understanding the radiation damage accumulation of reactor materials
… a synchronous parallel KMC (spKMC) algorithm for continuum diffusion-reaction systems, …
Synchronous parallel kinetic Monte Carlo: Implementation and results for object and lattice …
Synchronous parallel kinetic Monte Carlo: Implementation and results for object and lattice …
DFT-parameterized object kinetic Monte Carlo simulations of radiation damage
… (2008) Synchronous parallel kinetic Monte Carlo for continuum diffusion-reaction systems. J
… (2011) Billion-atom synchronous parallel kinetic Monte Carlo simulations of critical 3D Ising …
… (2011) Billion-atom synchronous parallel kinetic Monte Carlo simulations of critical 3D Ising …
Development of a parallel multiscale 3D model for thrombus growth under flow
… Kinetic Monte Carlo (LKMC) simulation for tracking platelet positions, a Finite Volume Method
(FVM) simulator for solving convection-diffusion-reaction … of a continuum approach where …
(FVM) simulator for solving convection-diffusion-reaction … of a continuum approach where …