Thorben Petersen, PhD
Thorben Petersen, PhD
Research
Theoretical studies on Photocatalytic Water Splitting
- Periodic Modelling of oxide and nitride surfaces (DFT)
- Application of ab initio quantum chemical methods to calculate high-dimensional potential energy surfaces for ground and excited states (CASSCF, CASPT2/NEVPT2)
- Fit of potential energy surfaces using Artificial Neural Networks (MATLAB, PyTorch, scikit-learn)
- Wavepacket-based Quantum Dynamics
See also Priority Program 1613
Scientific Papers:
- S. Oehmcke, T. Teusch, T. Petersen, T. Klüner and O. Kramer, Modeling H2O/Rutile-TiO2(110) Potential Energy Surfaces with Deep Networks, in Proc. 2020 International Joint Conference on Neural Networks (IJCNN), 2020.
- T. Petersen and T. Klüner, Photodesorption of H2O from Anatase-TiO2(101): A Combined Quantum Chemical and Quantum Dynamical Study, J. Phys. Chem. C, 2020, 124, 21, 11444-11455.
- T. Petersen and T. Klüner, Water Adsorption on Ideal Anatase-TiO2(101) - An Embedded Cluster Model for Accurate Adsorption Energetics and Excited State Properties, Z. Phys. Chem. - Special Issue on Photoelectrolysis, 2020, Band 234, Heft 5, 813-834.
- T. Petersen, J. Mitschker and T. Klüner, High-dimensional wave packet dynamics from first principles: Photodissociation of water on TiO2-rutile (110), J. Photochem. Photobiol. A., 2018, 366, 3-11.
- T. Petersen, J. Mitschker and T. Klüner, Photochemical Water Splitting on Titania Surfaces: Atomistic Insight From First Principles, in Reference Module in Chemistry, Molecular Sciences and Chemical Engineering: Interfacial Chemistry - Surfaces and Electrochemistry, Elsevier, 2017.
Further activities:
- Tutoring of undergraduate seminars
- Administration of the working group's website
Curriculum Vitae
| Personal Data | |
| Name | Thorben Petersen |
| Date of Birth | 23.10.1991 in Delmenhorst, Germany |
| Nationality | German |
| Working Experience | |
| since 03/2017 | Research Fellow Carl von Ossietzky University, Oldenburg, Germany |
| 11/2013 - 11/2016 | Student Assistent Carl von Ossietzky University, Oldenburg, Germany |
| 05/2011 - 09/2011 | Production Helper jobbec GmbH, Delmenhorst, Germany |
| Education | |
| since 03/2017 | PhD Carl von Ossietzky University, Oldenburg, Germany |
| 10/2014 - 01/2017 | Master of Science in Chemistry Carl von Ossietzky University, Oldenburg, Germany |
| 10/2011 - 09/2014 | Bachelor of Science in Chemistry Carl von Ossietzky University, Oldenburg, Germany |
| 08/2004 - 06/2011 | Abitur (German A-levels) Max-Plank Gymnasium, Delmenhorst, Germany |
| Conferences and Further Training | |
| 07/10/2019 - 11/10/2019 | CECAM Workshop: Thinking outside of the box - Beyond machine learning for quantum chemistry (Bremen, Germany) Contributed Poster |
| 22/09/2019 - 26/09/2019 | STC2019: Spectroscopy and Photoinduced Dynamics (Rostock, Germany) Contributed Poster |
| 11/09/2019 - 14/09/2019 | SP7 (Milan, Italy) Contributed Poster |
| 01/04/2019 - 05/04/2019 | International Bunsen-Discussion-Meeting: Fundamentals and Applications of (Photo)Electrolysis for Efficient Energy Storage (Taormina, Sicily) Contributed Talk |
| 04/02/2019 - 08/02/2019 | CECAM Workshop: Correlated Electron Physics beyond the Hubbard Model (Bremen, Germany) Contributed Poster |
| 22/10/2018 - 26/10/2018 | nanoGe Fall Meeting 2018 (Torremolinos, Spain) Contributed Talk and Poster |
| 18/06/2018 - 23/06/2018 | ICQC16 (Menton, France) Contributed Poster |
| 05/03/2018 - 09/03/2018 | APS March Meeting 2018 (Los Angeles, USA) Contributed Talk |
| 11/09/2017 - 14/09/2017 | SP6 (Oldenburg, Germany) Contributed Poster (awarded with Posterprize) |
| 27/08/2017 - 01/09/2017 | WATOC17 (Munich, Germany) Contributed Poster |
| 26/06/2017 - 29/06/2017 | CECAM Workshop: Challenges in Reaction Dynamics of Gas-Surface Interactions (Albi, France) Contributed Poster |
| 19/03/2017 - 24/03/2017 | DPG Frühjahrstagung 2017 (Dresden, Germany) Contributed Talk |
| 26/09/2016 - 28/09/2016 | DFG SPP1613 Summer School: Fuels Produced Regeneratively Through Light-Driven Water Splitting (Berlin, Germany) Contributed Poster |
Dissertation (2020)
Title:
Quantum Chemical and Quantum Dynamical Investigation on the Photochemistry of Water on Anatase-TiO2(101)