Development of accurate computational models for the description of electronic transitions in large molecules

PhD defence, Friday 28 April 2017. Pablo Baudin

2017.04.28 | Steffi Hjerrild Iversen

Pablo Baudin

During his studies, Pablo Baudin contributed to the development of state-of-the-art computational models for describing large molecules (with a few hundred atoms). The developed models provide approximated solutions to the central equation of quantum mechanics (the Schrödinger equation) for the electrons of a system. Particular attention was given to the description of electronic transitions which can arise as a result of light-matter interactions. Providing an accurate description of such processes in large molecules is of utmost importance in many scientific fields, such as molecular biology and material sciences.

The PhD degree was completed at the qLEAP Center for Theoretical Chemistry, Department of Chemistry, Science and Technology, Aarhus University.

This résumé was prepared by the PhD student.

Friday 28 April 2017 at 13.00
Place: Building 1514, Room 213, Auditorium I, Department of Chemistry, Aarhus University
Title of dissertation: Coupled Cluster Theory for Large Molecules
Contact information: Pablo Baudin, e-mail:, tel.: +45 5125 0480
Members of the assessment committee:
Professor Andreas Köhn, Institute for Theoretical Chemistry, University of Stuttgart, Germany.
Professor Stephan P. A. Sauer, Department of Chemistry, University of Copenhagen, Denmark.
Professor Ove Christiansen (chair), Department of Chemistry, Aarhus University.
Main supervisor:
Professor Poul Jørgensen, Department of Chemistry, Aarhus University.
Dr Kasper Kristensen, Department of Chemistry, Aarhus University.
Language: The PhD dissertation will be defended in English.

The defence is public.
The dissertation 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 23.02.2018