 | Laurens van Dam University of Vienna Institute of Theoretical Chemistry Währinger Str. 17 1090 Vienna Austria laurens.van.dam@univie.ac.at +43 1 4277 52759 ORCID: 0009-0004-0885-6978 |
| Focus Area |
| My research focuses on the excited-state properties and dynamics of organic chromophores in soft matter environments, particularly in multi-chromophoric systems for light-harvesting applications. Inspired by natural photosynthesis, my doctoral project investigates how supramolecular organization and chromophore alignment within liquid crystal scaffolds affect energy transfer efficiency. To achieve this, quantum chemical methods, non-adiabatic dynamics, and multiscale simulations are combined. A key aspect of my research involves the implementation of an excitonic model for simulating energy transfer between interacting chromophores, integrated into the SHARC dynamics framework. Conducted in collaboration with the Bonifazi group and as part of in the MECS Cluster of Excellence, this research aims to establish design principles for efficient molecular assemblies in solar energy conversion. |
| Publications |
Modular Synthesis of Polycyclic Aromatic Hydrocarbons Enabled by Electrophotocatalysis (submitted), (2026) 3. C. De Luca, E. Galleposo, R. R. Ferreira, C. Puccinelli, H. Peterlik, P. K. Mondal, L. van Dam, J. C. B. Dietschreit, Y. Shimomura, G. Konishi, D. Bonifazi Benzoyl-xanthenoxanthenes: Versatile Chromophores for Light-engaging Applications Angew. Chem. Int. Ed. 65, e23349, (2026), DOI: 10.1002/anie.202523349 C. De Luca, E. Galleposo, R. R. Ferreira, C. Puccinelli, H. Peterlik, P. K. Mondal, L. van Dam, J. C. B. Dietschreit, Y. Shimomura, G. Konishi, D. Bonifazi An Excitation Strategy for the Initial Condition Generation for Surface Hopping Trajectories using Electron-only Dynamics including Explicit Laser Pulses J. Chem. Theory Comput. 21, 12741–12754, (2025), DOI: 10.1021/acs.jctc.5c01390 L. Grünewald, L. van Dam, S. Mai Comparative Analysis of Dielectric Spectra in Protic Ionic Liquids: Experimental Findings and Computational Molecular Decomposition J. Mol. Liq. 396, 123834, (2024), DOI: 10.1016/j.molliq.2023.123834 |