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rsta20220235_si_001.
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Supplementary Material PDF from Exact distributed kinetic Monte Carlo simulations for on-lattice chemical kinetics: lessons learnt from medium- and large-scale benchmarks
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journal contribution
posted on 2023-03-26, 21:12
authored by
Giannis D. Savva
,
Raz L. Benson
,
Ilektra-Athanasia Christidi
,
Michail Stamatakis
Additional Performance-Benchmark Data. Preliminary Investigations towards Determining Parameter Values. Spatial Reactivity Maps.
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Chemical Engineering not elsewhere classified
Macromolecular and Materials Chemistry not elsewhere classified
Physical Chemistry not elsewhere classified
Keywords
kinetic Monte Carlo
lattice
time-warp algorithm
catalysis
materials science
distributed simulation
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CC BY 4.0
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