Publications
A1 publications
Published
2024
Journal of Chemical Theory and Computation 2024. 20(9): 3823 - 3838. IF: 5.5 60/185 [Q2]
2023
ACS Applied Materials & Interfaces 2023. 15(29): 35092 - 35106. IF: 8.2 83/461 [Q1]
2022
Chemistry-A European Journal 2022. 28(68): e202202621. IF: 4.3 66/178 [Q2]
Other publications
Dissertations [MSc and PhD]
PhD thesis
2026
Doctor of Engineering: Physics, 29/06/2026.
Master thesis
2019
Master of Science in Engineering Physics, 2019.
Invited talks [Honorary lectureships, keynotes, plenary talks and invited talks]
Invited talks
2025
EuroHPC User Days 2025, Copenhagen, DK, 30/09/2025 - 01/10/2025
Talks
2026
NCCC XXVII, Noordwijkerhout, NL, 02/03/2026 - 04/03/2026
2024
SMARTER8, Aveiro, PT, 22/09/2024 - 25/09/2024
2023
SMARTER7, Leuven, BE, 18/09/2023 - 20/09/2023
2022
Winterschool for Theoretical Chemistry and Spectroscopy, Han-sur-Lesse, BE, 28/11/2022 - 02/12/2022
Posters
2023
SMARTER7, Leuven, BE, 18/09/2023 - 20/09/2023
2021
Water in Zeolites Workshop, Liblice Castle, CZ, 19/09/2021 - 22/09/2021
FEZA 2021 - 8th Conference of the Federation of European Zeolite Associations, St Andrews (online), GB, 05/07/2021 - 09/07/2021
MolSim 2021, 04/01/2021 - 15/01/2021
