-
16. P. Marquetand
Photodynamics With Neural Networks and Kernel Ridge Regression
Comprehensive Computational Chemistry, 4, 413-426 (2023). -
15. J. Westermayr, P. Dral, P. Marquetand
Learning excited-state properties
in: Quantum Chemistry in the Age of Machine Learning (2023). -
14. P. Marquetand
Trendbericht Theoretische Chemie 2022: Maschinelles Lernen für elektronisch angeregte Zustände
Nachr. Chem., 70, 56-58 (2022). -
13. B. Bachmair, M. M. Reiner, M. Tiefenbacher, P. Marquetand
Recent advances in machine learning for electronic excited state molecular dynamics simulations
in: SPR - Chemical Modelling, (Ed.: H. Bahmann, J. C. Tremblay) Royal Society of Chemistry (2022). -
12. J. Westermayr, P. Marquetand
Machine Learning for Nonadiabatic Molecular Dynamics
in: Machine Learning in Chemistry: The Impact of Artificial Intelligence, (Ed.: H. Cartwright) Royal Society of Chemistry (2020). -
11. S. Mai, P. Marquetand, L. González
Surface hopping molecular dynamics
in: Quantum Chemistry and Dynamics of Excited States: Methods and Applications, (Eds.: L. González, R. Lindh) Wiley (2019). -
10. B. Helffer, T. Hoffmann-Ostenhof, P. Marquetand
On maximal multiplicities for Hamiltonians with separable variables
arXiv:1908.02752 [math.CO] (2019). -
9. M. Gastegger, P. Marquetand
Molecular dynamics with neural-network potentials
in: Machine Learning for Quantum Simulations of Molecules and Materials, (Eds.: K.T. Schütt, S. Chmiela, A. von Lilienfeld, A. Tkatchenko, K. Tsuda, K.-R. Müller) Springer (2018). arXiv:1812.07676 [physics.chem-ph] (2018). -
8. S. Mai, F. Plasser, P. Marquetand, L. González
General trajectory surface hopping method for ultrafast nonadiabatic dynamics
in: Chemistry and Molecular Physics on the Attosecond Timescale: Theoretical Approaches, (Eds.: F. Lépine, M. J. J. Vrakking) Theoretical and Computational Chemistry Series, Royal Society of Chemistry (2018). -
7. P. Marquetand
Molecules and Light
Habilitation Thesis
University of Vienna (2017). -
6. S. Mai, M. Richter, P. Marquetand, L. González
Excitation of Nucleobases from a Computational Perspective II: Dynamics
in: Topics in Current Chemistry, Photoinduced Phenomena in Nucleic Acids, (Eds.: M. Barbatti, A. C. Borin, S. Ullrich) Springer, Heidelberg (2014). -
5. P. Marquetand, T. Weinacht, T. Rozgonyi, J. González-Vazquez, D. Geißler, L. González
Vibrational and Electronic Wavepackets Driven by Strong Field Multiphoton Ionization
in: Advances in Multiphoton Processes and Spectroscopy, Vol. 21, (Ed.: Y. Fujimura) World Scientific, Singapore, pp. 1-54 (2014). -
4. L. González, P. Marquetand, Martin Richter, Jesús González-Vázquez, Ignacio Sola
Ultrafast laser-induced processes described by ab initio molecular dynamics
in: Ultrafast Phenomena in Molecular Sciences, (Eds.: Rebeca de Nalda, Luis Bañares) Springer, Heidelberg, Springer Series in Chem. Phys., 107, 145-170 (2014). -
3. L. González, P. Marquetand
Photoinduced ultrafast dynamics and control of chemical reactions: From quantum to classical dynamics
Bunsen Magazin 1, 13 - 23 (2012). arXiv:2003.14320 [physics.chem-ph] (2019). -
2. P. Marquetand, S. Gräfe, V. Engel, C. Meier
Instantaneous dynamics and quantum control: principles and applications
in: B. Lasorne and G. A. Worth (eds.), Coherent Control of Molecules, 2006, CCP6, Daresbury. -
1. P. Marquetand
Vectorial properties and laser control of molecular dynamics
PhD thesis
University of Würzburg (2007).