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Kinetic Monte Carlo (KMC) simulations have been instrumental in multiscale catalysis studies, enabling the elucidation of the complex dynamics of heterogeneous catalysts and the prediction of macroscopic performance metrics, such as activity and sele
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de7c764ba1e47c8a47d7ddc8d55be1ce
https://zenodo.org/record/8135694
https://zenodo.org/record/8135694