Interactive molecular dynamics in virtual reality for modelling materials and catalysts

Interactive molecular dynamics simulation in virtual reality (iMD-VR) is emerging as a promising technique in molecular science. Here, we demonstrate its use in a range of fifteen applications in materials science and heterogeneous catalysis. In this work, the iMD-VR package Narupa is used with the...

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Publicat a:J Mol Graph Model
Autors principals: Crossley-Lewis, Joe, Dunn, Josh, Buda, Corneliu, Sunley, Glenn J., Elena, Alin M., Todorov, Ilian T., Yong, Chin W., Glowacki, David R., Mulholland, Adrian J., Allan, Neil L.
Format: Artigo
Idioma:Inglês
Publicat: 2023
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Article
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC7616772/
https://ncbi.nlm.nih.gov/pubmed/37660615
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmgm.2023.108606
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