Development of catalysis modeling by computational methods

PhD defence, Friday 21 September 2018, Esben Leonhard Kolsbjerg

2018.09.21 | Helle Karvonen

Esben Leonhard Kolsbjerg

During his studies, Esben has developed algorithms to systematically improve how to study chemical reactions on surfaces. The diverse set of algorithms aim to both ease the process of studying reactions by automatization as well as reducing the computational needs by incorporating state-of-the-art machine learning practices. The newly developed methods by Esben, has among other, been used to gain insights into diffusion processes of small molecules, reactions with hydrogen, and the stability of nano metal clusters with promising catalytic properties.

The new research findings contribute to the understanding of catalyst details and the developed algorithms add to the tools for future catalyst design and studies.

The PhD degree was completed at the Interdisciplinary Nanoscience Center (iNANO), Science and Technology, Aarhus University.

This résumé was prepared by the PhD student.

Time: Friday 21 September 2018 at 13.15
Place: 1593-012, Auditorium The iNANO House, Gustav Wieds Vej 14, 8000  Aarhus C
Title of PhD thesis: Improving computational methods for modeling reactivity
Contact information: Esben Leonhard Kolsbjerg, e-mail:, tel.: +45 26 17 68 12
Members of the assessment committee:
Professor Hannes Jónsson, School of Engineering and Natural Sciences, University of Iceland, Iceland
Professor Karoliina Honkala, Department of Chemistry, Nanoscience Center, University of Jyväskylä, Finland
Professor Torben René Jensen (chair), iNANO and Department of Chemistry, Aarhus University
Main supervisor:
Professor Bjørk Hammer, iNANO and Department of Physics and Astronomy, Aarhus University
Language: The PhD dissertation will be defended in English

The defence is public.
The PhD thesis is available for reading at the Graduate School of Science and Technology/GSST, Ny Munkegade 120, building 1520, rooms 128-134, 8000 Aarhus C.

PhD defence
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Revised 15.11.2018