Background and activities
Area of work:
Group of Henrik Koch
Coupled Cluster Methods (CC3)
Triplet excited states
Conical Intersections with Coupled Cluster
Master in chemistry at the university of Heidelberg
Exchange semester at Aarhus University
Bachelor in chemistry at the universtiy of Heidelberg
Scientific, academic and artistic work
A selection of recent journal publications, artistic productions, books, including book and report excerpts. See all publications in the database
- (2021) Describing ground and excited state potential energy surfaces for molecular photoswitches using coupled cluster models. Journal of Computational Chemistry. vol. 42 (20).
- (2021) A new and efficient implementation of CC3. Journal of Chemical Theory and Computation. vol. 17.
- (2021) Transient Resonant Auger-Meitner Spectra of Photoexcited Thymine. Faraday discussions. vol. 228.
- (2020) Intermediate state representation approach to physical properties of molecular electron-detached states. I. Theory and implementation. Journal of Chemical Physics. vol. 152 (2).
- (2020) Intermediate state representation approach to physical properties of molecular electron-detached states. II. Benchmarking. Journal of Chemical Physics. vol. 152 (2).
- (2020) Excited State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods. ChemRxiv.
- (2020) eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods. Journal of Chemical Physics. vol. 152 (18).