ARTEMIS: \textit{ab initio} restructuring tool enabling the modelling of interface structures

DOI10.1016/J.CPC.2020.107515MaRDI QIDQ6097970zbMATH OpenOpenAlexFDO

Authors Ned Thaddeus Taylor, Francis Huw Davies, Isiah Edward Mikel Rudkin, Conor Jason Price, Tsz Hin Chan, Steven Paul Hepplestone

Publication date 7 June 2023

Published in Computer Physics Communications (Search for Journal in Brave)

Copyright license Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International

Full work available at URL https://doi.org/10.1016/j.cpc.2020.107515

zbMATH Keywords

atomic modellingcrystalsinterfacelattice matchingMiller planesurfaces

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to statistical mechanics (82-04) Interface problems; diffusion-limited aggregation in time-dependent statistical mechanics (82C24)

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Cites work

• Factoring polynomials with rational coefficients

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