Sander Borgmans

Voluntary staff
+32 (0)9 264 65 61
​​​​​Tech Lane Ghent Science Park, Campus Ardoyen
Technologiepark 46, 9052 Zwijnaarde, Belgium
Office n°023

A1 Publications

Published

2024

High-Throughput Screening of Covalent Organic Frameworks for Carbon Capture Using Machine Learning , J. De Vos, S. Ravichandran, S. Borgmans, L. Vanduyfhuys, P. Van der Voort, S.M.J. Rogge, V. Van Speybroeck , Chemistry of Materials , 36, 9, 4315-4330 , 2024 , IF: 8.6 , 63/344 [Q1]
Computational Protocol for the Spectral Assignment of NMR Resonances in Covalent Organic Frameworks , S. Vanlommel, S. Borgmans, C. V. Chandran, S. Radhakrishnan, P. Van der Voort, E. Breynaert, V. Van Speybroeck , Journal of Chemical Theory and Computation (JCTC) , 20, 9, 3823–3838 , 2024 , IF: 5.5

2023

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]
Engineering of Phenylpyridine- and Bipyridine-Based Covalent Organic Frameworks for Photocatalytic Tandem Aerobic Oxidation/Povarov Cyclization , M. Debruyne, S. Borgmans, S. Radhakrishnan, E. Breynaert, H. Vrielinck, K. Leus, A. Laemont, J. De Vos, K. S. Rawat, S. Vanlommel, H. Rijckaert, H. Salemi, J. Everaert, F. Vanden Bussche, D. Poelman, R. Morent, N. De Geyter, P. Van der Voort, V. Van Speybroeck, C.V. Stevens , ACS Applied Materials & Interfaces , 15, 29, 35092–35106 , 2023 , IF: 9.5 , 52/424 [Q1]
Absorbing stress via molecular crumple zones: Strain engineering flexibility into the rigid UiO-66 material , S.M.J. Rogge, S. Borgmans, V. Van Speybroeck , Matter , 6, 5, 1435-1462 , 2023 , IF: 18.9 , 17/342 [Q1]
Understanding the phase transition mechanism in the lead halide perovskite CsPbBr₃ via theoretical and experimental GIWAXS and Raman spectroscopy , A.E.J. Hoffman, R.A. Saha, S. Borgmans, P. Puech, T. Braeckevelt, M.B.J. Roeffaers, J.A. Steele, J. Hofkens, V. Van Speybroeck , APL Materials , Volume 11, Issue 4, article number 041124 , 2023 , IF: 6.635 , 33/161 [Q1]
ReDD-COFFEE: A ready-to-use database of covalent organic framework structures and accurate force fields to enable high-throughput screenings , J. De Vos, S. Borgmans, P. Van der Voort, S.M.J. Rogge, V. Van Speybroeck , J. Mater. Chem. A , 11, 14, 7468-7487 , 2023 , IF: 11.9 , 11/115 [Q1]
Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks , S. Borgmans, S.M.J. Rogge, J. De Vos, P. Van der Voort, V. Van Speybroeck , Communications Chemistry , 6, 1, 5 , 2023 , IF: 5.9 , 51/178 [Q2]

2022

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 , 5, 10, 14377-14387 , 2022 , IF: 6.14 , 101/345 [Q2]
Stable Amorphous Solid Dispersion of Flubendazole with High Drug Loading via Solvent Electrospinning , J. Becelaere, E. Van den Broeck, E. Schoolaert, V. Vanhoorne, J. F.R. Van Guyse, M. Vergaelen, S. Borgmans, K. Creemers, V. Van Speybroeck, C. Vervaet, R. Hoogenboom, K. De Clerck , Journal of controlled release , 351, November 2022, Pages 123-126 , 2022 , IF: 11.476 , Q1
Accurately Determining the Phase Transition Temperature of CsPbI3 via Random-Phase Approximation 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: 8.6 , 63/342 [Q1]

2021

Quantifying the likelihood of structural models through a dynamically enhanced powder X‐ray diffraction protocol , S. Borgmans, S.M.J. Rogge, J. De Vos, C.V. Stevens, P. Van der Voort, V. Van Speybroeck , Angewandte Chemie int. Ed. , 60 (16), 8913-8922 , 2021 , IF: 16.823 , 15/179 [Q1]

2020

Strongly Reducing (Diarylamino)benzene Based Covalent Organic Framework for Metal-Free Visible Light Photocatalytic H2O2 Generation , C. Krishnaraj, H. S. Jena, L. Bourda, A. Laemont, P. Pachfule, J. Roeser, C. V. Chandran, S. Borgmans, S.M.J. Rogge, K. Leus, C.V. Stevens, J.A. Martens, V. Van Speybroeck, E. Breynaert, A. Thomas, P. Van der Voort , JACS (Journal of the American Chemical Society) , 142 (47), 20107-20116 , 2020 , IF: 15.419 , 15/178 [Q1]

Other Publications

Dissertations

(D1) , In-Depth Computational Characterization of the Structure and Dynamics in Covalent Organic Frameworks , S. Borgmans , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. Sven Rogge , 2023 , 06/11/2023
(D2) , Screening potentially interesting covalent organic frameworks by accurate force field simulations , S. Borgmans , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck , 2017

Keynote / Plenary / Invited talks

Talks

2022 - 2024

Instilling flexibility in rigid MOFs through strain engineering: A case study on crumple zones to relieve stress in UiO-66 , S.M.J. Rogge, S. Borgmans, V. Van Speybroeck , MOF2022 , Dresden, Germany , Sun, 04/09/2022 to Wed, 07/09/2022
Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks , S. Borgmans, S.M.J. Rogge, J. De Vos, P. Van der Voort, V. Van Speybroeck , MOF2022 , Dresden, Germany , 220 , Sun, 04/09/2022 to Wed, 07/09/2022
Instilling flexibility in rigid MOFs through strain engineering: A case study on crumple zones to relieve stress in UiO-66 , S.M.J. Rogge, S. Borgmans, V. Van Speybroeck , MOF2022 , Dresden, Germany , Sun, 04/09/2022 to Wed, 07/09/2022
Accurately determining the transition temperature of metal halide perovskites 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 , DFT2022 , Brussels, Belgium , Mon, 29/08/2022 to Fri, 02/09/2022

2021

Quantifying the likelihood of structural models through a dynamically enhanced powder X-ray diffraction protocol , S. Borgmans, S.M.J. Rogge, J. De Vos, C.V. Stevens, P. Van der Voort, V. Van Speybroeck , EURMOF2021-YIS , Online , Fri, 10/09/2021

Posters

2022 - 2024

High-throughput screening of covalent organic frameworks for carbon capture using machine learning , J. De Vos, S. Ravichandran, S. Borgmans, L. Vanduyfhuys, P. Van der Voort, S.M.J. Rogge, V. Van Speybroeck , MOFSIM2024 , Montpellier, France , Wed, 10/04/2024 to Fri, 12/04/2024
Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks , S. Borgmans, S.M.J. Rogge, J. De Vos, V. Van Speybroeck , WATOC 2020 , Vancouver, Canada , Sun, 03/07/2022 to Fri, 08/07/2022
Instilling flexibility in rigid MOFs through strain field engineering: A case study on crumple zones to relieve stress in UiO-66 , S.M.J. Rogge, S. Borgmans, V. Van Speybroeck , Molecular Simulation 2022: Present, Past and Future , Erice, Italy , Sat, 25/06/2022 to Wed, 29/06/2022

2021

Quantifying the likelihood of structural models through a dynamically enhanced powder X-ray diffraction protocol , S. Borgmans, S.M.J. Rogge, J. De Vos, C.V. Stevens, P. Van der Voort, V. Van Speybroeck , EUROMOF2021 , Online , Mon, 13/09/2021 to Wed, 15/09/2021

2020

Quantifying the likelihood of structural models through a dynamically enhanced powder X-ray diffraction protocol , S. Borgmans, S.M.J. Rogge, V. Van Speybroeck , Faraday Discussions , Online , Tue, 13/10/2020 to Fri, 16/10/2020
Construction of a Ready-To-Use Database to Enable Accurate High-Throughput Screenings of Covalent Organic Frameworks , J. De Vos, S. Borgmans, S.M.J. Rogge, R. Demuynck, P. Van der Voort, V. Van Speybroeck , MolSim 2020 , Amsterdam, The Netherlands , Mon, 06/01/2020 to Fri, 17/01/2020

2019

Manipulation of interlayer interactions in 2D covalent organic frameworks towards increased crystallinity , S. Borgmans, S.M.J. Rogge, L. Vanduyfhuys, R. Demuynck, V. Van Speybroeck , EUROMOF2019 , Paris, France , Sun, 27/10/2019 to Wed, 30/10/2019
Elucidating the dynamics of the intricate stacking behaviour in 2D covalent organic frameworks at finite temperatures using MD simulations , S. Borgmans, S.M.J. Rogge, L. Vanduyfhuys, J. Wieme, R. Demuynck, C. Stevens, P. Van der Voort, V. Van Speybroeck , MOFSIM 2019 , Ghent, Belgium , Thu, 11/04/2019
Construction of a Ready-to-Use Database to Enable Accurate High-Throughput Screenings of Covalent Organic Frameworks , J. De Vos, S. Borgmans, S.M.J. Rogge, R. Demuynck, P. Van der Voort, V. Van Speybroeck , MOFSIM2019 , Ghent, Belgium , Wed, 10/04/2019 to Fri, 12/04/2019
Elucidating the dynamics of the intricate stacking behaviour in 2D covalent organic frameworks at finite temperatures using MD simulations , S. Borgmans, S.M.J. Rogge, L. Vanduyfhuys, J. Wieme, R. Demuynck, C. Stevens, P. Van der Voort, V. Van Speybroeck , MOLSIM2019 , Amsterdam, The Netherlands , Thu, 10/01/2019

Funding