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Coupling the time-warp algorithm with the graph-theoretical kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts (2022)

First Author: Ravipati S

Attributed to: Tier 2 Hub in Materials and Molecular Modelling funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1016/j.cpc.2021.108148

Publication URI: http://dx.doi.org/10.1016/j.cpc.2021.108148

Type: Journal Article/Review

Parent Publication: Computer Physics Communications