Philipp Marquetand

Affiliations: 
University of Vienna, Wien, Wien, Austria 
Area:
Theoretical Chemistry, ab initio molecular dynamics, neural networks, quantum dynamics
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"Philipp Marquetand"
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Publications

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Kaufman B, Marquetand P, Rozgonyi T, et al. (2024) Long-Lived Electronic Coherences in Molecules. Physical Review Letters. 131: 263202
Li Manni G, Fdez Galván I, Alavi A, et al. (2023) The OpenMolcas : A Community-Driven Approach to Advancing Computational Chemistry. Journal of Chemical Theory and Computation
Reiner MM, Bachmair B, Tiefenbacher MX, et al. (2023) Nonadiabatic Forward Flux Sampling for Excited-State Rare Events. Journal of Chemical Theory and Computation
Oelschlegel M, Hua SA, Schmid L, et al. (2022) Luminescent Iridium Complexes with a Sulfurated Bipyridine Ligand: PCET Thermochemistry of the Disulfide Unit and Photophysical Properties. Inorganic Chemistry
Westermayr J, Gastegger M, Vörös D, et al. (2022) Deep learning study of tyrosine reveals that roaming can lead to photodamage. Nature Chemistry
Cárdenas G, Trentin I, Schwiedrzik L, et al. (2021) Activation by oxidation and ligand exchange in a molecular manganese vanadium oxide water oxidation catalyst. Chemical Science. 12: 12918-12927
Gessner N, Bäck AK, Knorr J, et al. (2021) Ultrafast photochemistry of a molybdenum carbonyl-nitrosyl complex with a triazacyclononane coligand. Physical Chemistry Chemical Physics : Pccp
Sang S, Unruh T, Demeshko S, et al. (2021) Photo-Initiated Cobalt Catalyzed Radical Olefin Hydrogenation. Chemistry (Weinheim An Der Bergstrasse, Germany)
Westermayr J, Marquetand P. (2020) Machine Learning for Electronically Excited States of Molecules. Chemical Reviews
Liu Y, Rozgonyi T, Marquetand P, et al. (2020) Excited-state dynamics of CHI and CHIBr studied with UV-pump VUV-probe momentum-resolved photoion spectroscopy. The Journal of Chemical Physics. 153: 184304
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