Publications
Recent A1 Articles Published online
How Reproducible are Surface Areas Calculated from the BET Equation? , , Advanced Materials , Published online , 2022 , IF: 30.849 , 4/162 [Q1]
Synthesis of Nitrile-Functionalized Polydentate N-Heterocycles as Building Blocks for Covalent Triazine Frameworks , , Synthesis-Stuttgart , Published online , 2021
Most recent A1 Publications
2022
Nanostructured Materials and Heterogeneous Catalysis: A Succint Review Regarding DeNox Catalysis , , Comptes Rendus. Chimie , 25, S3, 163 , 2022 , IF: 3.117
Towards accurate processing-structure-property links using deep learning , , Scripta Materialia , 211, 114478 , 2022 , IF: 5.611
GloMPO (Globally Managed Parallel Optimization): a tool for expensive, black-box optimizations, application to ReaxFF reparameterizations , , Journal of Cheminformatics , 14, 7 , 2022 , IF: 5.514 , 31/161 [Q1]
Most recent talks
Invited talk
Modelling realistic nanoporous materials at operating conditions , , 5th Annual UK Porous Materials Conference , University of Strathclyde, Glasgow , Mon, 13/06/2022 to Tue, 14/06/2022 Invited talk
Modelling realistic nanoporous materials at operating conditions , , Supercomputer modelling of advanced materials , London, United Kingdom , Mon, 06/06/2022 to Tue, 07/06/2022 Invited talk
A molecular modeling perspective on the C1 chemistry for light olefin and aromatics formation over zeolites , , Nordco2 consortium , Online , Thu, 02/06/2022 Most recent conference posters
Computationally modelling hydrogen storage and transport in methane clathrates , , Hydrogen Research Event @ Advanced Engineering 2022 , Antwerp, Belgium , Thu, 12/05/2022
Characterizing the effect of hydration on nuclear magnetic resonance properties in zeolites , , Water in Zeolites Workshop , Liblice Castle, Czech Republic , Sun, 19/09/2021 to Wed, 22/09/2021
Mechanistic Insights on the Water-Zeolite Synergy in the Conversion of Biomass-Derived Guaiacol , , Water in Zeolites Workshop , Liblice Castle, Czech Republic , Sun, 19/09/2021 to Wed, 22/09/2021