2026-10-15T08:48:46Z https://data.mendeley.com/oai

oai:data.mendeley.com/f466r2p8yb.1 2014-01-01T12:00:00Z

CPC, Mendeley kmos: A lattice kinetic Monte Carlo framework Mendeley Data This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract Kinetic Monte Carlo (kMC) simulations have emerged as a key tool for microkinetic modeling in heterogeneous catalysis and other materials applications. Systems, where site-specificity of all elementary reactions allows a mapping onto a lattice of discrete active sites, can be addressed within the particularly efficient lattice kMC approach. To this end we describe the versatile kmos software package, which offers a most user-friendly implementation, execution, and evaluation of lattice kMC mo... Title of program: kmos Catalogue Id: AESU_v1_0 Nature of problem Microkinetic simulations of complex reaction networks with all elementary processes occurring at active sites of a static lattice. Versions of this program held in the CPC repository in Mendeley Data AESU_v1_0; kmos; 10.1016/j.cpc.2014.04.003 Physical Chemistry Surface Science Condensed Matter Physics Molecular Physics Computational Physics Hoffmann, Max J. Matera, Sebastian Reuter, Karsten Dataset doi:10.17632/f466r2p8yb.1 oai:data.mendeley.com/f466r2p8yb.1 GNU Public License Version 3 http://www.gnu.org/licenses/gpl-3.0.en.html https://data.mendeley.com/datasets/f466r2p8yb 2014-01-01T12:00:00Z