Severin Polonius University of Vienna Institute of Theoretical Chemistry Währinger Str. 17 1090 Vienna Austria severin.polonius@univie.ac.at +43 1 4277 52754 ORCID: 0000-0003-0445-4694 |
Focus Area |
The main focus of my research lies in the methodological development of the SHARC (Surface Hopping including ARbitrary Couplings) program package. In this, I am aiming at extending the capabilities of SHARC to describe the non-adiabatic dynamics of complex multi-chromophoric systems in solution. |
Awards & Prizes |
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Publications |
Resolving Photoinduced Femtosecond Three-Dimensional Solute Solvent Dynamics through Surface Hopping Simulations (submitted), (2024) 2. T. Piteša, S. Polonius, L. González, S. Mai Excitonic Configuration Interaction: Going Beyond the Frenkel Exciton Model (submitted), (2024) T. Piteša, S. Polonius, L. González, S. Mai
LVC/MM: A Hybrid Linear Vibronic Coupling/Molecular Mechanics Model with Distributed Multipole Electrostatic Embedding for Highly Efficient Surface Hopping Dynamics in Solution J. Chem. Theory Comput. 19, 7171-7186, (2023), DOI: 10.1021/acs.jctc.3c00805 |