Philipp Marquetand
Universität Wien
H-index: 40
Europe-Austria
Top articles of Philipp Marquetand
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Transferability of atomic energies from alchemical decomposition | The Journal of Chemical Physics | Michael J Sahre Guido Falk von Rudorff Philipp Marquetand O Anatole von Lilienfeld | 2024/2/7 |
Photodynamics With Neural Networks and Kernel Ridge Regression | Philipp Marquetand | 2023/1/1 | |
Long Lived Electronic Coherences in Molecular Wave Packets Probed with Pulse Shape Spectroscopy | arXiv preprint arXiv:2311.10598 | Brian Kaufman Philipp Marquetand Tamas Rozgonyi Thomas Weinacht | 2023/11/17 |
Long Lived Electronic Coherences in Molecules Studied with Pulse Shape Spectroscopy | APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts | Brian Kaufman Philipp Marquetand Tamás Rozgonyi Thomas Weinacht | 2023 |
CASNet: Learning Complete Active Space Orbitals using Message Passing Neural Networks | Ruard van Workum Joao Malhado Philipp Marquetand | 2023/6/28 | |
Learning excited-state properties | Julia Westermayr Pavlo O Dral Philipp Marquetand | 2023/1/1 | |
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry | Journal of Chemical Theory and Computation | Giovanni Li Manni Ignacio Fdez. Galván Ali Alavi Flavia Aleotti Francesco Aquilante | 2023/5/22 |
Nonadiabatic forward flux sampling for excited-state rare events | Journal of Chemical Theory and Computation | Madlen Maria Reiner Brigitta Bachmair Maximilian Xaver Tiefenbacher Sebastian Mai Leticia González | 2023/3/1 |
Long-Lived Electronic Coherences in Molecules | Physical Review Letters | Brian Kaufman Philipp Marquetand Tamás Rozgonyi Thomas Weinacht | 2023/12/26 |
Coherent control of coupled field-nuclei-electron dynamics in strong field molecular ionization | APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts | Brian Kaufman Tamás Rozgonyi Philipp Marquetand Thomas Weinacht | 2022 |
Luminescent Iridium Complexes with a Sulfurated Bipyridine Ligand: PCET Thermochemistry of the Disulfide Unit and Photophysical Properties | Inorganic Chemistry | Manuel Oelschlegel Shao-An Hua Lucius Schmid Philipp Marquetand Anna Bäck | 2022/8/24 |
Deep learning study of tyrosine reveals that roaming can lead to photodamage | Nature Chemistry | Julia Westermayr Michael Gastegger Dóra Vörös Lisa Panzenboeck Florian Joerg | 2022/8 |
Numerical calculations of multiphoton molecular absorption | Physical Review A | Brian Kaufman Philipp Marquetand Thomas Weinacht Tamás Rozgonyi | 2022/7/19 |
Recent advances in machine learning for electronic excited state molecular dynamics simulations | Brigitta Bachmair Madlen Maria Reiner Maximilian Xaver Tiefenbacher Philipp Marquetand | 2022/12/19 | |
Solving the electronic Schrödinger equation for multiple nuclear geometries with weight-sharing deep neural networks | Nature Computational Science | Michael Scherbela Rafael Reisenhofer Leon Gerard Philipp Marquetand Philipp Grohs | 2022/5 |
Gold-standard solutions to the Schrödinger equation using deep learning: How much physics do we need? | Advances in Neural Information Processing Systems | Leon Gerard Michael Scherbela Philipp Marquetand Philipp Grohs | 2022/12/6 |
BuRNN: Buffer region neural network approach for polarizable-embedding neural network/molecular mechanics simulations | The Journal of Physical Chemistry Letters | Bettina Lier Peter Poliak Philipp Marquetand Julia Westermayr Chris Oostenbrink | 2022/4/25 |
Trendbericht Theoretische Chemie 2022: Maschinelles Lernen für elektronisch angeregte Zustände | Philipp Marquetand | 2022/10 | |
A force field for a manganese-vanadium water oxidation catalyst: redox potentials in solution as showcase | Catalysts | Gustavo Cárdenas Philipp Marquetand Sebastian Mai Leticia González | 2021/4/13 |
Competition between dynamic resonance and internal conversion in strong-field molecular ionization with chirped ultrafast laser pulses | Physical Review A | Brian Kaufman Tamás Rozgonyi Philipp Marquetand Thomas Weinacht | 2021/2/15 |
Co-Authors
