 | Moritz Heindl University of Vienna Institute of Theoretical Chemistry Währinger Str. 17 1090 Vienna Austria moritz.heindl@univie.ac.at +43 1 4277 52753 |
| Focus Area |
| In my PhD thesis I investigate the inclusion of laser fields in surface hopping dynamics for the generation of accurate initial conditions and control mechanisms. To gain insight into the challenges of this approach we compare the excited state dynamics of various molecules against benchmark quantum dynamics simulations. |
| Awards & Prizes |
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| News |
| Publications |
Taming Disulfide Bonds with Laser Fields. Nonadiabatic Surface-Hopping Simulations in a Ruthenium Complex J. Phys. Chem. Lett. 13, 1894-1900, (2022), DOI: 10.1021/acs.jpclett.1c04143 8. J. P. Zobel, M. Heindl, F. Plasser, S. Mai, L. González Surface Hopping Dynamics on Vibronic Coupling Models Acc. Chem. Res. 54, 3760-3771, (2021), DOI: 10.1021/acs.accounts.1c00485 7. M. Heindl, L. González Validating Fewest-Switches Surface Hopping in the Presence of Laser Fields J. Chem. Phys. 154, 144102, (2021), DOI: 10.1063/5.0044807 6. M. Heindl, J. Hongyan, S. Hua, M. Oelschlegel, F. Meyer, D. Schwarzer, L. González Excited-State Dynamics of [Ru(S-Sbpy)(bpy)2]2+ to Form Long-Lived Localized Triplet States Inorg. Chem. 60, 1672-1682, (2021), DOI: 10.1021/acs.inorgchem.0c03163 5. S.-A. Hua, M. Cattaneo, M. Oelschlegel, M. Heindl, L. Schmid, S. Dechert, O. Wenger, I. Siewert, L. González, F. Meyer Electrochemical and Photophysical Properties of Ruthenium(II) Complexes Equipped with Sulfurated Bipyridine Ligands Inorg. Chem. 59, 4972-4984, (2020), DOI: 10.1021/acs.inorgchem.0c00220 4. S. Gómez, M. Heindl, A. Szabadi, L. González From Surface Hopping to Quantum Dynamics and Back. Finding Essential Electronic and Nuclear Degrees of Freedom and Optimal Surface Hopping Parameters J. Phys. Chem. A 123, 8321-8332, (2019), DOI: 10.1021/acs.jpca.9b06103 3. M. Heindl, L. González A XMS-CASPT2 Non-Adiabatic Dynamics Study on Pyrrole Comp. Theor. Chem. 1155, 38-46, (2019), DOI: 10.1016/j.comptc.2019.03.012 2. E. Heid, M. Heindl, P. Dienstl, C. Schröder Additive polarizabilities of halides in ionic liquids and organic solvents J. Chem. Phys. 149, 044302, (2018), DOI: 10.1063/1.5043156 1. J. P. Zobel, M. Heindl, J. J. Nogueira, L. González Vibrational Sampling and Solvent Effects on the Electronic Structure of the Absorption Spectrum of 2-Nitronaphthalene J. Chem. Theory Comput. 14, 3205-3217, (2018), DOI: 10.1021/acs.jctc.8b00198 |