Publications
A1 publications
Published
2023
npj Computational Materials 2023. 9(1): 19. IF: 9.4 32/178 [Q1]
Nature Communications 2023. 14(1): 1008. IF: 14.7 8/134 [Q1]
Journal of Chemical Theory and Computation 2023. 19(1): 18 - 24. IF: 5.7 52/178 [Q2]
2022
Journal of Chemical Theory and Computation 2022. 18(3): 1672 - 1691. IF: 5.5 6/35 [Q1]
2021
Journal of Computational Chemistry 2021.
Other publications
Dissertations [MSc and PhD]
PhD thesis
2022
Doctor of Science: Physics, 15/09/2022.
Master thesis
2017
Master of Science in Engineering Physics, 2017.
Invited talks [Honorary lectureships, keynotes, plenary talks and invited talks]
Invited talks
2025
ML4SPEC25 Belgian-German WE-Heraeus Seminar: "Machine Learning for Spectroscopy", Elsene, BE, 26/05/2025 - 28/05/2025
Talks
2023
Quantum2 on machine learning enhanced sampling, Lausanne, CH, 29/11/2023 - 01/12/2023
2022
NCCC XXIII, Noordwijkerhout, NL, 09/05/2022 - 11/05/2022
2021
AutoCheMo International Reactive Force Field Workshop, Ghent, BE, 08/12/2021 - 09/12/2021
2018
L'intelligence artificielle pour la chimie des matériaux, Paris, FR, 25/09/2018
Posters
2019
MOFSIM2019, Ghent, BE, 10/04/2019 - 12/04/2019
2018
34th winter school in theoretical chemistry: Machine Learning in Theoretical Chemistry, Helsinki, FI, 10/12/2018 - 13/12/2018
34th winter school in theoretical chemistry: Machine Learning in Theoretical Chemistry, Helsinki, FI, 10/12/2018 - 13/12/2018