Research Explorer

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Project

Exploring strategies to tune the selectivity of the CO2-to-chemicals conversion on zeolite catalysts by molecular simulations

Outputs and Outcomes

Publications

Operando modeling of zeolite-catalyzed reactions using first-principles molecular dynamics simulations

Veronique Van SpeybroeckMassimo BocusPieter CnuddeLouis Vanduyfhuys

A1 Journal Article in ACS CATALYSIS

Universal descriptors for zeolite topology and acidity to predict the stability of butene cracking intermediates

Pieter CnuddeMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in CATALYSIS SCIENCE & TECHNOLOGY