Recent A1 Articles Published online

A Critical Assessment on Calculating Vibrational Spectra in Nanostructured Materials , A.E.J. Hoffman, W. Temmerman, E. Campbell, A. A. Damin, I. Lezcano-Gonzalez, A.M. Beale, S. Bordiga, J. Hofkens, V. Van Speybroeck , Journal of Chemical Theory and Computation , Published online , 2023
Following the dynamics of industrial catalysts under operando conditions , V. Van Speybroeck , PNAS , Published online , 2023
Phosphorous Covalent Triazine Framework based Nanomaterials for the Electrocatalytic Hydrogen Evolution Reaction , H. S. Jena, C. Krishnaraj, B. K. Satpathy, K. S. Rawat, K. Leus, S. Veerapandian, R. Morent, N. De Geyter, V. Van Speybroeck, D. Pradhan, P. Van der Voort , ACS Applied Nano Materials , Published online , 2023

Most recent A1 Publications


The nature of extraframework aluminum species and Brønsted acid site interactions under catalytic operating conditions , J. L. Mancuso, V. Van Speybroeck , Journal of Catalysis , 429, 115211 , 2024 , IF: 7.3 , 20/142 [Q1]
Total Revalorization of High Impact Polystyrene (HIPS): Enhancing Styrene Recovery and Upcycling of the Rubber Phase , N.S. Giakoumis, C. Vos, K. Janssens, J. Vekeman, M. Denayer, F. De Proft, C. Marquez, D.E. De Vos , Green Chemistry , 26, 340-352 , 2024 , IF: 9.8 , Q1


OGRe: Optimal grid refinement protocol for accurate free energy surfaces and its application to proton hopping in zeolites and 2D COF stacking , S. Borgmans, S.M.J. Rogge, L. Vanduyfhuys, V. Van Speybroeck , Journal of Chemical Theory and Computation , 19, 24, 9032-9048 , 2023 , IF: 5.5 , 6/35 [Q1]

Most recent talks

Nuclear quantum effects in proton transfer reactions , A. Lamaire, M. Bocus, R. Goeminne, S. Vandenhaute, M. Cools-Ceuppens, T. Verstraelen, V. Van Speybroeck , Quantum2 on machine learning enhanced sampling , Lausanne, Switzerland , Wed, 29/11/2023 to Fri, 01/12/2023
Honorary lectureship
New Frontiers in Modeling Nanoporous Materials for Catalysis, Diffusion and Adsorption , V. Van Speybroeck , The Dr. Karl Wamsler Innovation Award Symposium 2023 – Advancing Catalysis Science , Garching bei München (Germany) , Thu, 09/11/2023

Most recent conference posters

Molecular simulation of alkane and alkene diffusion in nanoporous membranes to allow for an energy-efficient separation. , B. Schmidt, L. Vanduyfhuys, V. Van Speybroeck , Fears 2022 , Gent + Belgium , Fri, 28/10/2022
A Reactive Force Field for Alumina Systems , L. Dumortier, B. Creton, T. De Bruin, T. Verstraelen , , Blankenberge (Belgium) , Wed, 12/10/2022 to Fri, 14/10/2022
Atomistic insight in the flexibility and heat transport properties of MIL-53(Al) for water-adsorption applications , A. Lamaire, J. Wieme, A. Hoffman, V. Van Speybroeck , MOF2022 , Dresden, Germany , Mon, 05/09/2022 to Tue, 06/09/2022