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DFT-Quality Monte-Carlo Simulations of Distribution of Hydrocarbon Pool Species in MFI Frameworks Enabled by Machine Learning Potentials Conference Abstracts

Conference XII International Conference «Mechanisms of Catalytic Reactions»
17-21 Jun 2024 , Владимир
Source Mechanisms of Catalytic Reactions (MCR-XII). abstracts of XII International Conference. June 17-21, 2024, Vladimir, Russia [Electronic resource]
Compilation, Boreskov Institute of Catalysis. Novosibirsk.2024. 339 c. ISBN 978-5-906376-56-5.
Output data Year: 2024, Article number : OPs-10, Pages count : 2
Authors Koveza V.A. 1 , Yurtaeva A.S. 1 , Potapenko O.V. 1
Affiliations
1 Center of New Chemical Technologies BIC, Boreskov Institute of Catalysis, Siberian Branch Russian Academy of Sciences, Omsk, Russia

Funding (1)

1 Ministry of Science and Higher Education of the Russian Federation FWUR-2024-0039
Cite: Koveza V.A. , Yurtaeva A.S. , Potapenko O.V.
DFT-Quality Monte-Carlo Simulations of Distribution of Hydrocarbon Pool Species in MFI Frameworks Enabled by Machine Learning Potentials
In compilation Mechanisms of Catalytic Reactions (MCR-XII). abstracts of XII International Conference. June 17-21, 2024, Vladimir, Russia [Electronic resource]. – Boreskov Institute of Catalysis., 2024. – C.139-140. – ISBN 978-5-906376-56-5.
Identifiers: No identifiers
Citing: Пока нет цитирований