Philipp Marquetand
Affiliations: | University of Vienna, Wien, Wien, Austria |
Area:
Theoretical Chemistry, ab initio molecular dynamics, neural networks, quantum dynamicsGoogle:
"Philipp Marquetand"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Volker Engel | grad student | 2004-2007 | University of Wurzburg |
| Leticia González | post-doc | ||
| James T. Hynes | post-doc | 2008-2010 | ENS Paris |
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Publications
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| Mai S, Ashwood B, Marquetand P, et al. (2024) Correction to "Solvatochromic Effects on the Absorption Spectrum of 2-Thiocytosine". The Journal of Physical Chemistry. B |
| Mausenberger S, Müller C, Tkatchenko A, et al. (2024) SpaiNN: equivariant message passing for excited-state nonadiabatic molecular dynamics. Chemical Science. 15: 15880-90 |
| 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) |