M. Bocus
Enthalpy or entropy? How temperature changes the dynamics of alkene cracking intermediates via ab initio derived machine learning potentials
Direct CO2 valorization on zeolite catalysts: Identifying olefin formation pathways in a complex molecular environment
Comprehensive Inorganic Chemistry III (third edition)
Chapter 6.08: 'Dynamic evolution of catalytic active sites within zeolite catalysis', pages 165-200.
Mechanistic Insights on the Water-Zeolite Synergy in the Conversion of Biomass-Derived Guaiacol
ISBN/ISSN:
Poster
Conference / event / venue
Water in Zeolites Workshop
Liblice Castle, Czech Republic
Sunday, 19 September, 2021 to Wednesday, 22 September, 2021
Zeolite-catalyzed benzene ethylation: New mechanistic insights from an old-school reaction class
ISBN/ISSN:
Talk
Conference / event / venue
ACS Spring 2021
Online
Monday, 5 April, 2021 to Friday, 30 April, 2021
Spanning the gap from Schrödinger to Newton by deriving a classical force field from quantum mechanical training data for zeolites
Molecular level reaction engineering to improve selectivity and reduce deactivation in the methanol-to-olefins process
Is classic enough? Exploring how nuclear quantum effects affect proton mobility in zeolites through ab initio-derived machine learning potentials
How water-induced defects affect the conversion of biomass-derived guaiacol in zeolite catalysts
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