Publications

Recent A1 Articles Published online

Linker Engineering of 2D Imine Covalent Organic Frameworks for the Heterogeneous Palladium-Catalyzed Suzuki Coupling Reaction , C. Krishnaraj, H. S. Jena, K. S. Rawat, J. Schmidt, K. Leus, V. Van Speybroeck, P. Van der Voort , ACS Applied Materials & Interfaces , Published online , 2022 , IF: 10.382
A new framework for frequency-dependent polarizable force fields , Y.X. Cheng, T. Verstraelen , Journal of Chemical Physics , Published online , 2022 , IF: 4.02 , Q1
How the Layer Alignment in Two-dimensional Nanoporous Covalent Organic Frameworks Impacts Its Electronic Properties , K. S. Rawat, S. Borgmans, T. Braeckevelt, C.V. Stevens, P. Van der Voort, V. Van Speybroeck , ACS Applied Nano Materials , Published online , 2022 , IF: 6.14 , 101/345 [Q2]

Most recent A1 Publications

2022

Insights into the mechanism and reactivity of zeolite catalyzed alkylphenol dealkylation , M. Bocus, V. Van Speybroeck , ACS Catalysis , 12, 22, 14227–14242 , 2022 , IF: 14.413 , 19/165 [Q1]
Synergistic Effects in the Activity of Nano-Transition-Metal clusters Pt12M (M = Ir, Ru or Rh) for NO dissociation , J. Vekeman, Q. Wang, X. Deraet, D. Bazin, F. De Proft, H. Guesmi, F. Tielens , ChemPhysChem , 23, 21, e202200740 , 2022 , IF: 3.151
Accurately determining the phase transition temperature of CsPbI3 via RPA calculations and phase-transferable machine learning potentials , T. Braeckevelt, R. Goeminne, S. Vandenhaute, S. Borgmans, T. Verstraelen, J.A. Steele, M. Roeffaers, J. Hofkens, S.M.J. Rogge, V. Van Speybroeck , Chemistry of Materials , 34, 19, 8561–8576 , 2022 , IF: 10.508 , 48/345 [Q1]

Most recent talks

Invited talk
Computational microscopy of membrane proteins: methods and tools , A. R. Mehdipour , EMBO workshop: Membrane Protein Expression, Purification and Characterization (mPEPC2) , Hamburg, Germany , Mon, 05/09/2022 to Mon, 12/09/2022
Invited talk
Towards modeling spatiotemporal processesin metal-organic frameworks , V. Van Speybroeck, S. Vandenhaute , MOF2022 , Dresden, Germany , Sun, 04/09/2022 to Wed, 07/09/2022
Talk
Unfolding the terahertz spectrum of soft porous crystals: rigid unit modes and their impact on phonon properties , A.E.J. Hoffman, J. Wieme, I. Senkovska, A. Krylov, S. Kaskel, V. Van Speybroeck , MOF2022 , Dresden, Germany , Sun, 04/09/2022 to Wed, 07/09/2022

Most recent conference posters

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
Computational Study of the Electronic Structure of Co2+ Aqua-Complexes , L. De Bruecker, V. Van Speybroeck , DFT2022 , Brussels Belgium , Mon, 29/08/2022 to Fri, 02/09/2022