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The structure evolution of interstellar polycyclic aromatic hydrocarbons

PhD defence, Friday, 24 September 2021. Zeyuan Tang.

2021.09.24 | Karen Konradi

Zeyuan Tang

Polycyclic aromatic hydrocarbons (PAHs) are believed to be the carrier of infrared emission bands from many astronomical objects. They are also thought to participate in many chemical and physical processes in space. Understanding the structure evolution of PAHs is an important step towards revealing complex chemical and physical processes in space.

During his PhD studies, Zeyuan Tang combined different computational tools (density functional theory, molecular dynamics, evolutionary algorithms) and machine learning techniques (neural network, gaussian process regression) to identify PAH structures during vibration, fragmentation and dimerization. The new research findings contribute to the understanding of the structure evolution of PAHs from the vibration near the equilibrium configuration to other dynamical processes that involve breaking chemical bonds. The astronomical implications of his findings are addressed as well.

The PhD study was completed at Department of Physics and Astronomy, Faculty of Natural Sciences, Aarhus University.

This summary was prepared by the PhD student.

Time: Friday, 24 September 2021 at 09:00
Place: Building 1520, Room 737, Sky Lounge, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, 8000 Aarhus C
The PhD defence will also be held online. To receive a link to the event, please send an e-mail to Ann-Berit Porse Stærkær, aps@phys.au.dk.
Title of PhD thesis: Theoretical investigations on the structural identification of polycyclic aromatic hydrocarbons

Contact information: Zeyuan Tang, e-mail: zeyuan.tang@phys.au.dk, tel.: +45 91889525

Members of the assessment committee:

Research Associate Mathias Rapacioli, Laboratoire de Chimie et Physique Quantique IRSAMC, Université Paul Sabatier, Toulouse, France

Research professor Stefan T Bromley, Departament de Química Física, Universitat de Barcelona, Spain

Associate professor Brian Julsgaard (chairman), Department of Physics and Astronomy, Aarhus University, Denmark

Main supervisor:
Professor Bjørk Hammer, Department of Physics and Astronomy, Aarhus University, Denmark

Language: The PhD dissertation will be defended in English

The defence is public.
Due to the coronavirus situation, the PhD thesis will not be available for reading at the offices of the PhD administration. Instead, interested parties may send an e-mail to gradschool.nat@au.dk to receive a digital copy of the PhD thesis. Please note, it may in certain cases be necessary to make an individual arrangement to read the PhD thesis.

PhD defence
16882 / i43