Publications in scientific journals

The literature cited below can be obtained via

94.	J. Westermayr, P. Marquetand Machine Learning Spectroscopy to Advance Computation and Analysis submitted, (2024).

93.	B. Kaufman, P. Marquetand, T. Rozgonyi, T. Weinacht Long Lived Electronic Coherences in Molecular Wave Packets Probed with Pulse Shape Spectroscopy submitted, , (2024). arXiv:2311.10598 [quant-ph]

92.	M. J. Sahre, G. F. von Rudorff, P. Marquetand, O. A. von Lilienfeld Transferability of atomic energies from alchemical decomposition J. Chem. Phys., 160, 054106 (2024). arXiv:2311.04784 [physics.chem-ph]

91.	R. van Workum, J. Malhado, P. Marquetand CASNet: Learning Complete Active Space Orbitals using Message Passing Neural Networks ChemRxiv DOI: 10.26434/chemrxiv-2023-lwj87

90.	B. Kaufman, P. Marquetand, T. Rozgonyi, T. Weinacht Long-Lived Electronic Coherences in Molecules Phys. Rev. Lett., 131, 263202 (2023).

89.

G. Li Manni, I. F. Galván, A. Alavi, F. Aleotti, F. Aquilante, J. Autschbach, D. Avagliano, A. Baiardi, J. J. Bao, S. Battaglia, L. Birnoschi, A. Blanco-González, S. I. Bokarev, R. Broer, R. Cacciari, P. B. Calio, R. K. Carlson, R. Carvalho Couto, L. Cerdán, L. F. Chibotaru, N. F. Chilton, J. R. Church, I. Conti, S. Coriani, J. Cuéllar-Zuquin, R. E. Daoud, N. Dattani, P. Decleva, C. de Graaf, M. G. Delcey, L. De Vico, W. Dobrautz, S. S. Dong, R. Feng, N. Ferré, M. Filatov(Gulak), L. Gagliardi, M. Garavelli, L. González, Y. Guan, M. Guo, M. R. Hennefarth, M. R. Hermes, C. E. Hoyer, M. Huix-Rotllant, V. K. Jaiswal, A. Kaiser, D. S. Kaliakin , M. Khamesian, D. S. King, V. Kochetov, M. Krośnicki, A. A. Kumaar, E. D. Larsson, S. Lehtola, M.-B. Lepetit, H. Lischka, P. López Ríos, M. Lundberg, D. Ma, S. Mai, P. Marquetand , I. C. D. Merritt, F. Montorsi, M. Mörchen, A. Nenov, V. H. A. Nguyen, Y. Nishimoto, M. S. Oakley, M. Olivucci, M. Oppel, D. Padula, R. Pandharkar, Q. M. Phung, F. Plasser, G. Raggi, E. Rebolini, M. Reiher, I. Rivalta, D. Roca-Sanjuán, T. Romig, A. A. Safari, A. Sánchez-Mansilla, A. M. Sand, I. Schapiro, T. R. Scott, J. Segarra-Martí, F. Segatta, D.-C. Sergentu, P. Sharma, R. Shepard, Y. Shu, J. K. Staab, T. P. Straatsma, L. K. Sørensen, B. N. C. Tenorio, D. G. Truhlar, L. Ungur, M. Vacher, V. Veryazov, T. A. Voss, O. Weser, D. Wu, X. Yang, D. Yarkony, C. Zhou, J. P. Zobel, R. Lindh The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry J. Chem. Theory Comput., 19, 6933–6991 (2023). ChemRxiv DOI:10.26434/chemrxiv-2023-b7f0j-v2

88.	M. M. Reiner, B. Bachmair, M. X. Tiefenbacher, S. Mai, L. González, P. Marquetand, C. Dellago Nonadiabatic Forward Flux Sampling for Excited-State Rare Events J. Chem. Theory Comput., 19, 1657–1671 (2023). arXiv:2208.00686 [physics.chem-ph]

87.	P. Marquetand Recent progress in electro-and photocatalyst discovery with machine learning Chem. Rev., 122, 15996–15997 (2022).

86.

K. Cseh, H. Geisler, K. Stanojkovska, J. Westermayr, P. Brunmayr, D. Wenisch, N. Gajic, M. Hejl, M. Schaier, G. Koellensperger, M. A Jakupec, P. Marquetand, W. Kandioller Arene variation of highly cytotoxic tridentate naphthoquinone-based ruthenium (II) complexes and in-depth in vitro studies Pharmaceutics, 14, 2466 (2022).

85.

M. Oelschlegel, S.-A. Hua, L. Schmid, P. Marquetand, A. Bäck, J.-H. Borter, J. Lücken, S. Dechert, O. S. Wenger, I. Siewert, D. Schwarzer, L. González, F. Meyer Luminescent Iridium Complexes with a Sulfurated Bipyridine Ligand: PCET Thermochemistry of the Disulfide Unit and Photophysical Properties Inorg. Chem., 61, 13944-13955 (2022).

84.	L. Gerard, M. Scherbela, P. Marquetand, P. Grohs Gold-standard solutions to the Schrödinger Equation using Deep Learning: How much physics do we need? Adv. Neural Inf. Process. Syst. (NeurIPS), 35, accepted (2022). arXiv:2205.09438 [cs.LG]

83.	B. Lier, P. Poliak, P. Marquetand, J. Westermayr, C. Oostenbrink BuRNN: A Buffer Region Neural Network Approach for QM/MM Simulations of Complex Systems J. Phys. Chem. Lett., 13, 3812–3818 (2022). arXiv:2112.11395 [physics.chem-ph]

83.	J. Westermayr, M. Gastegger, D. Vörös, L. Panzenboeck, F. Joerg, L. González, P. Marquetand* Deep learning study of tyrosine reveals that roaming can lead to photodamage Nat. Chem., 14, 914-919 (2022). arXiv:2108.04373 [physics.chem-ph]

82.	M. Scherbela, R. Reisenhofer, L. Gerard, P. Marquetand, P. Grohs Solving the electronic Schrödinger equation for multiple nuclear geometries with weight-sharing deep neural networks Nat. Comput. Sci., 2, 331-341 (2022). arXiv:2105.08351 [physics.comp-ph]

81.	N. Gessner, A. K. Bäck, J. Knorr, C. Nagel, P. Marquetand, U. Schatzschneider, L. González, P. Nuernberger Ultrafast Photochemistry of a Molybdenum Carbonyl-Nitrosyl Complex with a Triazacyclononane Coligand Phys. Chem. Chem. Phys., 23, 24187-24199 (2021). ChemRxiv DOI:10.33774/chemrxiv-2021-xptgq

80.	G. Cardenas, I. Trentin, L. Schwiedrzik, D. Hernández-Castillo, G. Lowe, P. Marquetand, J. Nogueira, C. Streb, L. González Oxidation vs. ligand exchange in a molecular manganese vanadium oxide water oxidation catalyst Chem. Sci., 12, 12918-12927 (2021). ChemRxiv DOI:10.33774/chemrxiv-2021-7w62s

79.	S. Sang, T. Unruh, S. Demeshko, L. Domenianni, N. van Leest, P. Marquetand, F. Schneck, C. Würtele, F. de Zwaart, B. de Bruin, L. Gonzaléz, P. Vöhringer, S. Schneider Photo-Initiated Cobalt Catalyzed Radical Olefin Hydrogenation Chem. Eur. J., 27, 16978-1698 (2021).

78.

H. Geisler, J. Westermayr, K. Cseh, D. Wenisch, V. Fuchs, S. Harringer, S. Plutzar, N. Gajic, M. Hejl, M. Jakupec, P. Marquetand, W. Kandioller Tridentate 3-substituted naphthoquinone ruthenium arene complexes: Synthesis, characterization, aqueous behavior, theoretical and biological studies Inorg. Chem., 60, 9805-9819 (2021).

77.	G. Cárdenas, P. Marquetand, S. Mai, L. González A Force Field for a Manganese-Vanadium Water Oxidation Catalyst: Redox Potentials in Solution as Showcase Catalysts, 11, 493 (2021).

76.	B. Kaufman, T. Rozgonyi, P. Marquetand, T. Weinacht Competition Between Dynamic Resonance and Internal Conversion in Strong Field Molecular Ionization with Chirped Ultrafast Laser Pulses Phys. Rev. A, 103, 023108 (2021).

75.

J. Westermayr, P. Marquetand* Machine learning for electronically excited states of molecules Chem. Rev., 121, 9873-9926 (2021). arXiv:2007.05320 [physics.chem-ph]

74.	B. Kaufman, T. Rozgonyi, P. Marquetand, T. Weinacht Adiabatic Elimination in Strong Field Light Matter Coupling Phys. Rev. A, 102, 063117 (2020).

73.	Y. Liu, T. Rozgonyi, P. Marquetand, T. Weinacht Excited-State Dynamics of CH2I2 and CH2IBr Studied with UV-Pump VUV-Probe Momentum-Resolved Photoion Spectroscopy J. Chem. Phys., 153, 184304 (2020).

72.	J. Westermayr, P. Marquetand* Deep learning for UV absorption spectra with SchNarc: First steps toward transferability in chemical compound space J. Chem. Phys., 153, 154112 (2020). arXiv:2007.07684 [physics.chem-ph]

71.	B. Kaufman, T. Rozgonyi, P. Marquetand, T. Weinacht Coherent control of internal conversion in strong field molecular ionization Phys. Rev. Lett., 125, 053202 (2020).

70.	J. Westermayr, P. Marquetand* Perspective: Machine learning and excited-state molecular dynamics Mach. Learn.: Sci. Technol., 1, 043001 (2020). arXiv:2005.14139 [physics.chem-ph]

69.	J. Westermayr, M. Gastegger, P. Marquetand* Combining SchNet and SHARC: The SchNarc machine learning approach for excited-state dynamics J. Phys. Chem. Lett., 11, 3828-3834 (2020). arXiv:2002.07264 [physics.chem-ph]

68.

J. Westermayr, F. A. Faber, A. S. Christensen, O. A. von Lilienfeld, P. Marquetand* Neural networks and kernel ridge regression for excited states dynamics of CH2NH+2: From single-state to multi-state representations and multi-property machine learning models Mach. Learn.: Sci. Technol., 1, 025009 (2020). arXiv:1912.08484 [physics.chem-ph]

67.

Y. Liu, S. L. Horton, J. Yang, J. P. F. Nunes, X. Shen, T. J. A. Wolf, R. Forbes, C. Cheng, B. Moore, M. Centurion, K. Hegazy, R. Li, M. Lin, A. Stolow, P. Hockett, T. Rozgonyi, P. Marquetand*, X. Wang, T. Weinacht Spectroscopic and Structural Probing of Excited State Molecular Dynamics with Time-Resolved Photoelectron Spectroscopy and Ultrafast Electron Diffraction Phys. Rev. X, 10, 021016 (2020).

66.

I. Fdez. Galván, M. Vacher, A. Alavi, C. Angeli, J. Autschbach, J. J. Bao, S. I. Bokarev, N. A. Bogdanov, R. K. Carlson, L. F. Chibotaru, J. Creutzberg, N. Dattani, M. G. Delcey, S. Dong, A. Dreuw, L. Freitag, L. M. Frutos, L. Gagliardi, F. Gendron, A. Giussani, L. González, G. Grell, M. Guo, C. E. Hoyer, M. Johansson, S. Keller, S. Knecht, G. Kovačević, E. Källman, G. Li Manni, M. Lundberg, Y. Ma, S. Mai, J. P. Malhado, P. Å. Malmqvist, P. Marquetand, S. A. Mewes, J. Norell, M. Olivucci, M. Oppel, Q. M. Phung, K. Pierloot, F. Plasser, M. Reiher, A. M. Sand, I. Schapiro, P. Sharma, C. J. Stein, L. K. Sørensen, D. G. Truhlar, M. Ugandi, L. Ungur, A. Valentini, S. Vancoillie, V. Veryazov, O. Weser, P.-O. Widmark, S. Wouters, J. P. Zobel, R. Lindh OpenMolcas: From Source Code to Insight J. Chem. Theory Comput., 15, 5925-5964 (2019). ChemRxiv DOI:10.26434/chemrxiv.8234021

65.

J. Westermayr, M. Gastegger, M. Menger, S. Mai, L. González, P. Marquetand* Machine learning enables long time scale molecular photodynamics simulations Chem. Sci., 10, 8100-8107 (2019). arXiv:1811.09112 [physics.chem-ph]

64.	S. Horton, Y. Liu, R. Forbes, V. Makhija, R. Lausten, A. Stolow, P. Hockett, P. Marquetand, T. Rozgonyi, T. Weinacht Excited State Dynamics of CH2I2 and CH2BrI studied with UV Pump VUV Probe Photoelectron Spectroscopy J. Chem. Phys., 150, 174201 (2019). arXiv

63.	M. Gastegger, L. González, P. Marquetand Exploring Density Functional Subspaces with Genetic Algorithms Monatsh. Chem., 150, 173-182 (2019).

62.	S. Mai, A. Mohamadzade, P. Marquetand, L. González, S. Ullrich Simulated and Experimental Time-Resolved Photoelectron Spectra of the Intersystem Crossing Dynamics in 2-Thiouracil Molecules, 23, 2836 (2018).

61.	S. Horton, Y. Liu, P. Chakraborty, P. Marquetand, T. Rozgonyi, S. Matsika, T. Weinacht Strong field vs weak field ionization pump-probe spectroscopy Phys. Rev. A, 98, 053416 (2018).

60.

S. Mai, P. Marquetand, L. González Nonadiabatic Dynamics: The SHARC Approach WIREs Comput. Mol. Sci., 8, e1370 (2018).

59.	B. Maryasin, P. Marquetand, N. Maulide Machine Learning for Organic Synthesis: Robots Replacing Chemists? Angew. Chem. Int. Ed., 57, 6978-6980 (2018). (German edition: Angew. Chem.)

58.	M. Gastegger, L. Schwiedrzik, M. Bittermann, F. Berzsenyi, P. Marquetand* wACSF – Weighted Atom-Centered Symmetry Functions as Descriptors in Machine Learning Potentials J. Chem. Phys., 148, 241709 (2018). arXiv:1712.05861 [physics.chem-ph]

57.	C. Rauer, J. J. Nogueira, P. Marquetand, L. González Stepwise Photosensitized Thymine Dimerization Mediated by an Exciton Intermediate Monatsh. Chem., 149, 1-9 (2018).

56.	M. Gastegger, J. Behler, P. Marquetand* Machine Learning Molecular Dynamics for the Simulation of Infrared Spectra Chem. Sci., 8, 6924-6935 (2017). Supporting information arXiv:1705.05907 [physics.chem-ph]

55.	V. Tagliamonti, B. Kaufman, A. Zhao, T. Rozgonyi, P. Marquetand, T. Weinacht Time-resolved measurement of internal conversion dynamics in strong-field molecular ionization Phys. Rev. A, 96, 021401(R) (2017).

54.	A. Zhao, P. Sándor, V. Tagliamonti, T. Rozgonyi, P. Marquetand, T. Weinacht Ionic dynamics underlying strong-field dissociative molecular ionization Phys. Rev. A, 96, 023404 (2017).

53.

J. Sánchez-Rodríguez, A. Mohamadzade, S. Mai, B. Ashwood, M. Pollum, P. Marquetand, L. González, C. Crespo-Hernández, S. Ullrich 2-Thiouracil Intersystem Crossing Photodynamics Studied By Wavelength-Dependent Photoelectron And Transient Absorption Spectroscopies Phys. Chem. Chem. Phys., 19, 19756-19766 (2017). Supporting information

52.	S. Mai, B. Ashwood, P. Marquetand, C. Crespo-Hernández, L. González Solvatochromic Effects on the Absorption Spectrum of 2-Thiocytosine J. Phys. Chem. B, 121, 5187-5196 (2017). Supporting information

51.	A. Borin, S. Mai, P. Marquetand, L. González Ab Initio Molecular Dynamics Relaxation and Intersystem Crossing Mechanisms of 5-Azacytosine Phys. Chem. Chem. Phys., 19, 5888-5894 (2017). Supporting information

50.	S. Larimian, S. Erattupuzha, S. Mai, P. Marquetand, L. González, A. Baltuška, M. Kitzler, Xinhua Xie Molecular oxygen observed by direct photoproduction from carbon dioxide Phys. Rev. A, 95, 011404R (2017). arXiv:1604.07582 [physics.chem-ph]

49.	P. Marquetand, J.J. Nogueira, S. Mai, F. Plasser, L. González Challenges in Simulating Light-Induced Processes in DNA Molecules, 22, 49 (2017).

48.	S. Mai, M. Richter, P. Marquetand*, L. González The DNA Nucleobase Thymine in Motion - Intersystem Crossing Simulated with Surface Hopping Chem. Phys., 482, 9-15 (2017). Supporting information arXiv:1610.04436 [physics.chem-ph]

47.	M. Ruckenbauer, S. Mai, P. Marquetand*, L. González Revealing deactivation pathways hidden in time-resolved photoelectron spectra Sci. Rep., 6, 35522 (2016).

46.

C. Rauer, J. Nogueira, P. Marquetand*, L. González Cyclobutane Thymine Photodimerization Mechanism Revealed by Nonadiabatic Molecular Dynamics J. Am. Chem. Soc., 138, 15911-15916 (2016). Supporting information

45.	S. Mai, M. Pollum, L. Martinez-Fernandez, N. Dunn, P. Marquetand, I. Corral, C. Crespo-Hernández, L. González The Origin of Efficient Triplet State Population in Sulfur-Substituted Nucleobases Nat. Commun., 7, 13077 (2016). Supporting information

44.	S. Mai, P. Marquetand, L. González Intersystem Crossing Pathways in the Noncanonical Nucleobase 2-Thiouracil: A Time-Dependent Picture J. Phys. Chem. Lett., 7, 1978-1983 (2016). Supporting information

43.	M. Gastegger, C. Kauffmann, J.Behler, P. Marquetand* Comparing the Accuracy of High-Dimensional Neural Network Potentials and the Systematic Molecular Fragmentation Method: A Benchmark Study for all-trans Alkanes J. Chem. Phys., 144, 194110 (2016). Supporting information

42.

H. Yu, J. Sanchez-Rodriguez, M. Pollum, C. Crespo-Hernandez, S. Mai, P. Marquetand, L. González, S. Ullrich Internal Conversion and Intersystem Crossing Pathways in UV excited, isolated Uracils and their Implications in Prebiotic Chemistry Phys. Chem. Chem. Phys., 18, 20168-20176 (2016). Supporting information

41.	V. Tagliamonti, P. Sándor, A. Zhao, T. Rozgonyi, P. Marquetand, T. Weinacht Nonadiabatic dynamics and multiphoton resonances in strong field molecular ionization with few cycle laser pulses Phys. Rev. A, 93, 051401(R) (2016). arXiv:1611.09395 [physics.chem-ph]

40.	B. Curchod, C. Rauer, P. Marquetand, L. González, T. Martínez GAIMS - Generalized Ab Initio Multiple Spawning for both Internal Conversion and Intersystem Crossing Processes J. Chem. Phys., 144, 101102 (2016).

39.	F. Plasser, M. Ruckenbauer, S. Mai, M. Oppel, P. Marquetand, L. González Efficient and Flexible Computation of Many-Electron Wavefunction Overlaps J. Chem. Theory Comput., 12, 1207-1219 (2016).

38.	P. Sándor, V. Tagliamonti, A. Zhao, T. Rozgonyi, M. Ruckenbauer, P. Marquetand, T. Weinacht Strong Field Molecular Ionization in the Impulsive Limit: Freezing Vibrations with Short Pulses Phys. Rev. Lett., 116, 063002 (2016). Supporting information arXiv:1611.09142 [physics.chem-ph]

37.	M. Ruckenbauer, S. Mai, P. Marquetand*, L. González Photoelectron Spectra of 2-Thiouracil, 4-Thiouracil and 2,4-Dithiouracil J. Chem. Phys., 144, 074303 (2016). Supporting information arXiv:1512.02905 [physics.chem-ph]

36.	C. Bernardes, K. Shimizu, J. Canongia Lopes, P. Marquetand, E. Heid, O. Steinhauser, C. Schröder Additive polarizabilities in ionic liquids Phys. Chem. Chem. Phys., 18, 1665-1670 (2016). Supporting information

35.	S. Mai, P. Marquetand*, L. González A Static Picture of the Relaxation and Intersystem Crossing Mechanisms of Photoexcited 2-Thiouracil J. Phys. Chem. A, 119, 9524-9533 (2015). Supporting information

34.	M. Gastegger, P. Marquetand* High-dimensional Neural Networks for Organic Reactions and an Improved Training Algorithm J. Chem. Theory Comput., 11, 2187-2198 (2015).

33.	C. Crespo-Hernández, L. Martinez-Fernandez, C. Rauer, C. Reichardt, S. Mai, M. Pollum, P. Marquetand, L. González, I. Corral Electronic and Structural Elements that Regulate the Excited-State Dynamics in Purine Nucleobase Derivatives J. Am. Chem. Soc., 137, 4368-4381 (2015). Supporting information

32.

S. Mai, P. Marquetand*, L. González A General Method to Describe Intersystem Crossing in Trajectory Surface Hopping Int. J. Quant. Chem., 115, 1215-1231 (2015).

31.

F. Latorre, J. Guthmuller, P. Marquetand* A Spectroscopic Study of the cis/trans-Isomers of Penta-2,4-dienoic Acid Attached to Gold Nanoclusters Phys. Chem. Chem. Phys., 17, 7648-7658 (2015).

30.	M. Richter, S. Mai, P. Marquetand*, L. González Ultrafast Intersystem Crossing Dynamics in Uracil Unravelled by Ab Initio Molecular Dynamics Phys. Chem. Chem. Phys., 16, 24423-24436 (2014).

29.	S. Mai, T. Müller, F. Plasser, P. Marquetand, H. Lischka, L. González Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods J. Chem. Phys., 141, 074105 (2014).

28.	S. Mai, P. Marquetand*, L. González Excited State Dynamics in SO2: II. The Role of Triplet States in the Bound State Relaxation Studied by Surface-Hopping Simulations J. Chem. Phys., 140, 204302 (2014). arXiv:1302.1438 [physics.chem-ph]

27.	M. Thomas, S. Mühlig, T. Deckert-Gaudig, C. Rockstuhl, V. Deckert, P. Marquetand* Distinguishing Chemical and Electromagnetic Enhancement in Surface-Enhanced Raman Spectra: The Case of para-Nitrothiophenol J. Raman Spectrosc., 44, 1497 - 1505 (2013).

26.	S. Mai, P. Marquetand*, M. Richter, J. González-Vázquez, and L. González A singlet and triplet excited-state dynamics study of the keto and enol tautomers of cytosine ChemPhysChem, 14, 2920 - 2931 (2013).

25.	M. Thomas, F. Latorre, P. Marquetand* Resonance Raman Spectra of ortho-Nitrophenol Calculated by Real-Time Time-Dependent Density Functional Theory J. Chem. Phys., 138, 044101 (2013).

24.	M. Richter, P. Marquetand, J. González-Vázquez, I. Sola, L. González Femtosecond Intersystem Crossing in the DNA Nucleobase Cytosine J. Phys. Chem. Lett., 3, 3090-3095 (2012). Supporting information

23.	D. Geißler, P. Marquetand*, J. González-Vázquez, L. González, T. Rozgonyi, and T. Weinacht Control of nuclear dynamics with strong ultrashort laser pulses J. Phys. Chem. A, 116, 11434–11440 (2012).

22.	J. Bajo, J. González-Vázquez, I. Sola, J. Santamaria, M. Richter, P. Marquetand, L. González Nonadiabatic ab initio molecular dynamics including spin-orbit coupling and laser fields J. Phys. Chem. A, 116, 2800-2807 (2012).

21.	Daniel Kinzel, P. Marquetand*, L. González Stark Control of a Chiral Fluoroethylene Derivative J. Phys. Chem. A, 116, 2743-2749 (2012).

20.	Dominik Geißler, Tamás Rozgonyi, Jesús González-Vázquez, Leticia González, Philipp Marquetand, Thomas Weinacht Pulse Shape Dependent Strong Field Ionization Viewed with Velocity Map Imaging Phys. Rev. A, 84, 053422 (2011).

19.	P. Marquetand*, M. Richter, J. González-Vázquez, I. Sola, L. González Nonadiabatic ab initio molecular dynamics including spin-orbit coupling and laser fields Faraday Discuss., 153, 261-273 (2011).

18.	M. Richter, P. Marquetand*, J. González-Vázquez, I. Sola, L. González SHARC - ab initio molecular dynamics with surface hopping in the adiabatic representation including arbitrary couplings J. Chem. Theory Comput., 7, 1253 - 1258 (2011).

17.	K. Renziehausen, P. Marquetand, V. Engel On the divergence of time-dependent perturbation theory applied to laser-induced molecular transitions J. Phys. B: At. Mol. Opt. Phys., 42, 195402/1 - 8 (2009).

16.	P. Marquetand, P. Nuernberger, T. Brixner, V. Engel Molecular dump processes induced by chirped laser pulses J. Chem. Phys., 129, 074303/1 - 11 (2008).

15.	P. Marquetand, V. Engel Analysis of laser fields for photoassociation and molecular stabilization derived from local control theory J. Phys. B: At. Mol. Opt. Phys., 41, 074026/1 - 7 (2008).

14.	P. Marquetand, P. Nuernberger, G. Vogt, T. Brixner, V. Engel Properties of wave packets deduced from quantum control fitness landscapes Europhys. Lett., 80, 53001/1 - 5 (2007).

13.	P. Marquetand, V. Engel Local control theory applied to molecular photoassociation J. Chem. Phys., 127, 084115/1 - 6 (2007).

12.	Z. Chen, V. Stepanenko, V. Dehm, P. Prins, L. Siebbeles, J. Seibt, P. Marquetand, V. Engel, F. Würthner Photoluminescence and conductivity of self-assembled π-π stacks of perylene bisimide dyes Chem. Eur. J., 13, 436 - 449 (2007).

11.	S. Koller, J. Seibt, P. Marquetand, V. Engel Application of a reflection principle to spectroscopic transitions in molecular dimersc Chem. Phys. Lett., 433, 199 - 203 (2006).

10.	J. Seibt, P. Marquetand, V. Engel F. Würthner, Z.Chen, V. Dehm On the geometry dependence of molecular dimer spectra with an application to aggregates of perylene bisimide Chem. Phys., 328, 354 - 362 (2006).

9.	P. Marquetand, V. Engel Complete local control of molecular excited states photodissociation Chem. Phys. Lett., 426, 263 - 267 (2006).

8.	S. Gräfe, P. Marquetand, V. Engel Classical aspects emerging from local control of energy and particle transfer in molecules J. Photochem. Photobiol. A: Chem., 180, 271 - 276 (2006). Special Issue: "Coherent Control of Photochemical and Photobiological Processes"

7.	P. Marquetand, S. Gräfe, D. Scheidel, V. Engel Local control of the quantum dynamics in multiple potential wells J. Chem. Phys., 124, 054325/1 - 7 (2006).

6.	P. Marquetand, C. Meier, V. Engel Local control of molecular fragmentation: The role of orientation J. Chem. Phys., 123, 204320/1 - 7 (2005).

5.	P. Marquetand, V. Engel Predissociation and dissociation dynamics in quantum control fields Chem. Phys. Lett., 407, 471 - 476 (2005).

4.	P. Marquetand, V. Engel Femtosecond pulse induced predissociation dynamics in static electric fields Phys. Chem. Chem. Phys., 7, 469 - 474 (2005).

3.	P. Marquetand, A. Materny, N. E. Henriksen, V. Engel Molecular orientation via a dynamically induced pulse-train: Wave packet dynamics of NaI in a static electric field J. Chem. Phys., 120, 5871 - 5874 (2004).

2.	S. Gräfe, P. Marquetand, V. Engel, N. E. Henriksen, K. B. Moller Quantum control fields from instantaneous dynamics Chem. Phys. Lett., 398, 180 - 185 (2004).

1.	M. Erdmann, P. Marquetand, V. Engel Combined electronic and nuclear dynamics in a simple model system J. Chem. Phys., 119, 672 - 679 (2003).

Book chapters, etc.

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).

Talks

71.	P. Marquetand* Excited-state molecular dynamics based on machine learning ETH Zurich PC-Kolloquium, Zurich, Switzerland, 04/10/2022

70.	P. Marquetand* Machine learning for excited-state molecular dynamics ISTA seminar (invited by B. Cheng), Klosterneuburg, Austria, 27/09/2022

69.	P. Marquetand* Machine learning and beyond – from ground-state wave functions to excited-state dynamics Symposium on Theoretical Chemistry 2022, Heidelberg, Germany, 18-22/09/2022

68.	P. Marquetand* ML molecular dynamics: excited states CECAM school: Machine Learning and Quantum Computing for Quantum Molecular Dynamics, Paris, France, 05-09/09/2022

67.	P. Marquetand* Machine learning potentials II: Kernel-based methods Machine Learning for Materials Hard and Soft, Vienna, Austria, 11-22/07/2022

66.	P. Marquetand* Machine learning potentials I: Neural networks Machine Learning for Materials Hard and Soft, Vienna, Austria, 11-22/07/2022

65.	P. Marquetand* Machine learning for excited-state molecular dynamics (online event) International Conference on Theoretical and High Performance Computational Chemistry 2022, Beijing, China, 12-13/07/2022

64.	P. Marquetand* Machine learning for excited-state molecular dynamics Beilstein Bozen Symposium 2022 "Simulation and AI in the Future of Science", Rüdesheim, Germany, 17-19/05/2022

63.	P. Marquetand* Machine learning and rare-event sampling for excited states University of Basel, Department of Chemistry, Basel, Switzerland, 13/04/2022

62.	P. Marquetand* Machine learning and rare-event sampling for excited states (online event), Anatole von Lilienfeld's group seminar, 07/04/2022

61.	P. Marquetand* Machine learning for nonadiabatic excited-state molecular dynamics (online event), Pacifichem Symposium "Supercharging Computational Chemistry with AI", Honolulu, Hawaii, USA, 16-21/12/2021

60.	P. Marquetand* Making molecular movies more reliable (online event), Pacifichem Symposium "Electronic and Nuclear Structure Theory: Quantum Dynamics for Electronic Ground and Excited States", Honolulu, Hawaii, USA, 16-21/12/2021

59.	P. Marquetand* Excited-state machine learning molecular dynamics Doctoral School of Chemistry Panel A Retreat 2021, Seitenstetten, Austria, 17-19/11/2021

58.	P. Marquetand* Nonadiabatic machine learning molecular dynamics (hybrid event), CECAM workshop "Challenges in reaction dynamics of gas-surface interactions and methodological advances in dissipative and non-adiabatic processes", Toulouse, France, 27-30/09/2021

57.	P. Marquetand* Excited-state molecular dynamics with machine learning potentials (hybrid event), 13th Annual Retreat of the Heidelberg Graduate School of Mathematical and Computational Methods for the Sciences, Heidelberg, Germany, 20-21/09/2021

56.	P. Marquetand* Machine learning, molecules and light (hybrid event), ETHZ/EPFL Summer School 2021 Big Data and Machine Learning in Chemistry, Lausanne, Switzerland, 07-09/06/2021

55.	P. Marquetand* Electronic excited state machine learning (online event), Helmholtz-Center Berlin for Materials and Energy and Free University Berlin (invited by A. Bande), Berlin, Germany, 17/05/2021

54.	P. Marquetand* Excited-state machine learning molecular dynamics (online event), CNLS workshop "Machine Learning in Chemical and Materials Sciences", Los Alamos, USA, 10-14/05/2021

53.	P. Marquetand* Machine learning for nonadiabatic dynamics simulations (online event), Department seminar, University of Rostock, Institute of Physics (invited by O. Kühn), Rostock, Germany, 04/05/2021

52.	P. Marquetand* Machine learning and data-driven chemistry (online event), Newcastle University, School of Natural and Environmental Sciences, Newcastle, UK, 17/03/2020

51.	P. Marquetand* Nonadiabatic machine learning molecular dynamics (online event), Department seminar, Universidade de São Paulo, Instituto de Química (invited by A. C. Borin), São Paulo, Brasil, 04/12/2020

50.	P. Marquetand* Machine learning molecular dynamics and ab initio simulations for time-resolved photo-electron spectroscopy and ultrafast electron diffraction Joint Theoretical Chemistry Seminar (invited by O. Vendrell), Heidelberg, Germany, 03/06/2019

49.	P. Marquetand Machine learning for nanosecond excited-state dynamics Bunsentagung 2019, Jena, Germany, 30/05-01/06/2019

48.	P. Marquetand* Excited-state Dynamics Simulations with Machine Learning Physical Chemistry Seminar (invited by O. A. von Lilienfeld), Basel, Switzerland, 22/05/2019

47.	P. Marquetand* Simulation of ground and excited-state molecular dynamics with machine learning Developing High-Dimensional Potential Energy Surfaces – From the Gas Phase to Materials, Göttingen, Germany, 24/04-26/04/2019

46.	P. Marquetand* Molecules and Light: Insights from dynamics simulations and machine learning University of Regensburg, Regensburg, Germany, 08/06/2018

45.	P. Marquetand* Neural Network Potentials for Molecular Dynamics CECAM workshop: Machine Learning at Interfaces, Lausanne, Switzerland, 04/06-08/06/2018

44.	P. Marquetand* Machine Learning Potentials for Molecular Dynamics SimTech 2018, Stuttgart, Germany, 26/03-28/03/2018

43.	P. Marquetand* Machine Learning Potentials for Infrared Spectra from Molecular Dynamics MOLIM meeting Graz 2018, Graz, Austria, 04/02-07/02/2018

42.	P. Marquetand* Neural networks for molecular dynamics and infrared spectra Applied Machine Learning Days, Lausanne, Switzerland, 27/01-30/01/2018

41.	P. Marquetand* Using ionization to probe excited-state dynamics Hebrew University - Universität Wien Seminar, Hebrew University of Jerusalem, Israel, 31/10-01/11/2017

40.	P. Marquetand* Machine learning and quantum chemistry EON (ELSI origins network) workshop on computational chemistry, Tokyo Institute of Technology, Japan, 10-13/10/2017

39.	P. Marquetand+ Dynamique non-adiabatique, ionisation et résaux de neurones Laboratoire de Modélisation et Simulation Multi-Echelle, Université Paris-Est Marne la Vallée, France, 12/09/2017

38.	P. Marquetand* Neural network potentials and excited-state molecular dynamics Symposium on Theoretical Chemistry, Basel, Switzerland, 21-25/08/2017

37.	P. Marquetand+ Artificial neural networks and excited-state molecular dynamics Laboratoire de Chimie et Physique Quantiques, Toulouse, France, 16/02/2017

36.	P. Marquetand+ Machine learning potentials and excited-state molecular dynamics Vanicek group, Lausanne, Switzerland, 10/02/2017

35.	P. Marquetand+ SHARC dynamics of nucleobases and machine learning potentials Theoretical Chemistry Colloquia (invited by M. Römelt), Bochum, Germany, 01/02/2017

34.	P. Marquetand+ Artificial neural networks and excited-state molecular dynamics Boese group, Graz, Austria, 18/11/2016

33.	P. Marquetand Strong field molecular ionization: Going to pulses too short for vibrations XLIC WG3 workshop: Control of chemical reactivity, Belfast, Northern Ireland, 04-05/04/2016

32.	P. Marquetand+ Molécules et lumière : Un aperçu par des simulations CTMM, Montpellier, 29/02/2016

31.	P. Marquetand* Neural networks and semiclassical dynamics 14th Central European Symposium on Theoretical Chemistry, Banská Bystrica, Slovakia, 06 – 09/09/2015

30.	P. Marquetand* Semiclassical molecular dynamics and artificial neural networks MOLIM general meeting, Marne - La Vallée, France, 27-29/08/2015.

29.	P. Marquetand* Kalman Filter Training From Many-Body Hamiltonians to Machine Learning and Back, Berlin, Germany, 11-13/05/2015

28.	P. Marquetand Simulating Surface-enhanced Raman Scattering Using a Combined Electrodynamics/Time-Dependent Densitiy Functional Theory approach International Symposium on Nanophotonics, Jena, Germany, 27-28/11/2014

27.	P. Marquetand Simulating Chemical and Electromagnetic Effects in Surface-Enhanced Raman Scattering XXIV. ICORS, Jena, Germany, 10-15/08/2014

26.	P. Marquetand+ Molecules and light – with a focus on surface-enhanced spectroscopy Fink group, Tübingen, Germany, 04/06/2014

25.	P. Marquetand* Nonadiabatic semiclassical dynamics including spin-orbit couplings CECAM workshop: Recent progress in adiabatic and non-adiabatic methods in quantum dynamics, Lausanne, Switzerland, 12-15/05/2014

24.	P. Marquetand* Strong field ionization, laser control and dynamics of small molecules XLIC WG3 workshop: Control of chemical reactivity, Birmingham, Great Britain, 14-16/04/2014

23.	P. Marquetand+ Dynamics in molecules – from SERS spectroscopy to photorelaxation Quantum Dynamics of Nanoobjects group at IPCMS, Strasbourg, France, 11/04/2014

22.	P. Marquetand* Ab initio molecular dynamics including intersystem crossings QRS 12, Bordeaux, France, 10-14/06/2013

21.	P. Marquetand+ The role of triplet states in the photorelaxation of sulphur dioxide: a surface hopping study Stolow group, NRC, Ottawa, Canada, 20/09/2012

20.	P. Marquetand The Role of Intersystem Crossing in the Photorelaxation of the DNA Nucleobase Cytosine: a Surface Hopping Study GRS Atomic & Molecular Interactions 2012, Easton (MA), USA, 14 - 15/07/2012

19.	P. Marquetand* Full-dimensional dynamics using SHARC HDQD 2012, Birmingham, Great Britain, 12 - 14/04/2012

18.	P. Marquetand+ SHARC - Surface Hopping Dynamics with Laser Interactions and Spin-Orbit Couplings Gräfe group, Vienna, Austria, 06/03/2012

17.	P. Marquetand+ The semiclassical SHARC method - laser interactions and spin-orbit coupling in molecular dynamics Vienna, Austria, 02/02/2012

16.	P. Marquetand*, M. Richter, J. González-Vázquez, J. Bajo, I. Sola, J. Santamaria, L. González Mixed quantum-classical dynamics with surface hopping including arbitrary couplings SASP XVIII, Alpe d'Huez, France, 22 – 27/01/2012

15.	P. Marquetand+, M. Richter, J. González-Vázquez, I. Sola, L. González Mixed quantum-classical dynamics including spin-orbit couplings and laser interactions Saalfrank group, Potsdam, Germany, 18/01/2012

14.	P. Marquetand+ First results on IR control of Bromoiodomethane after strong-field ionization Hungarian Academy of Sciences, Budapest, Hungary, 12/12/2011

13.	P. Marquetand, M. Richter, J. González-Vázquez, I. Sola, L. González Semiclassical molecular dynamics including spin-orbit coupling and electric fields ISTCP-VII, Tokyo, Japan, 02 – 08/09/2011

12.	P. Marquetand, M. Richter, J. González-Vázquez, I. Sola, L. González Nonadiabatic ab initio molecular dynamics including spin-orbit coupling and laser fields Faraday Discussions 153, Leeds, Great Britain, 25 – 27/07/2011

11.	P. Marquetand* Fitness landscapes in quantum control 3rd annual workshop of the CM0702 COST action CUSPFEL, Hersonissos, Greece, 20 - 22/10/2010

10.	P. Marquetand+ Control of molecular dynamics Invited Talk, Jena, Germany, 17/11/2009

9.	P. Marquetand, D. Laage, P. Kiefer, J. T. Hynes Le transfert de proton en solution aqueuse peut-il être induit par radiation infrarouge ? Journées de Modélisation 2009, Paris, France, 15 - 16/06/2009

8.	P. Marquetand, V. Engel Analysis of photoassociation laser fields derived from local control theory 3. Workshop zur Ultrakurzzeitphysik und Quantenkontrolle, Damüls, Austria, 17 - 20/02/2008

7.	P. Marquetand, P. Nuernberger, G. Vogt, T. Brixner, V. Engel Characteristics of wavepacket evolution from quantum control landscapes DPG Frühjahrstagung 2007, Düsseldorf, 19 - 23/03/2007

6.	P. Marquetand, P. Nuernberger, G. Vogt, T. Brixner, V. Engel Characteristics of wavepacket evolution from quantum control landscapes 2. Workshop zur Ultrakurzzeitphysik und Quantenkontrolle, Mellau, Austria, 15 - 18/02/2007

5.	P. Marquetand, V. Engel Laser control of directional rotational motion in molecular motors 1st European Chemistry Congress, Budapest, 27 - 31/08/2006

4.	P. Marquetand*, S. Gräfe, V. Engel, C. Meier Instantaneous dynamics and quantum control fields: principles and numerical applications Eingeladener Vortrag: Vertretung von C. Meier CCP6-Workshop on Coherent Control of Molecules, Birmingham, 03 - 05/07/2006

3.	P. Marquetand, V. Engel Die Rolle der Rotationsbewegung in der lokalen Kontrolltheorie 1. Workshop zur Ultrakurzzeitphysik und Quantenkontrolle, Neustift/Stubaital, 19 – 22/01/2006

2.	P. Marquetand, C. Meier, V. Engel Local control of molecular fragmentation: The role of orientation DPG Frühjahrstagung 2006, Frankfurt, 13 - 17/03/2006

1.	P. Marquetand, V. Engel Femtosecond pulse induced predissociation dynamics in static electric fields DPG Frühjahrstagung 2005, Berlin, 04 - 09/03/2005

Poster presentations

20.	P. Marquetand, M. M. Reiner, B. Bachmair, M. X. Tiefenbacher, S. Mai, L. González, C. Dellago Sampling rare events in electronic excited states Molecular Interactions and Dynamics Gordon Research Conference, Stonehill College, USA, 10-15/07/2022

19.	P. Marquetand Machine learning for dynamics simulations 17th Central European Symposium on Theoretical Chemistry (CESTC), Burg Schlaining, Austria, 09/09-12/09/2019

18.	P. Marquetand SHARC molecular dynamics and neural networks CECAM workshop: Molecular Quantum Dynamics Methods, Lausanne, Switzerland, 15/06-19/06/2015

17.	P. Marquetand, M. Thomas, S. Mühlig, T. Deckert-Gaudig, C. Rockstuhl Simulating surface-enhanced Raman scattering STC 2014, Vienna, Austria, 14/09 - 18/09/2014

16.	P. Marquetand, M. Ruckenbauer, T. Rozgonyi, M. Poetzlberger, W. Lunden, P. Sándor, T. Weinacht Simulating strong-field ionization of small molecules AttoFEL & XLIC WG1 meeting 2014, London, Great Britain, 30/06 - 04/07/2014

15.	P. Marquetand, M. Richter, J. González-Vázquez, I. Sola, L. González The Role of Intersystem Crossing in the Photorelaxation of the DNA Nucleobase Cytosine: a Surface Hopping Study GRC Atomic & Molecular Interactions 2012, Easton (MA), USA, 15 - 20/07/2012

14.	P. Marquetand, T. Rozgonyi, J. González-Vázquez, D. Geißler, T. Weinacht, L. González Unraveling the dynamics in dihalomethanes after strong-field ionization COST CUSPFEL meeting, Cluj-Napoca, Romania, 21 – 23/03/2012

13.	P. Marquetand, M. Richter, J. González-Vázquez, I. Sola, L. González Surface-hopping ab initio molecular dynamics including arbitrary couplings FEMTO10, Madrid, Spain, 10 – 15/07/2011

12.	P. Marquetand, D. Laage, J. T. Hynes Proton transfer in aqueous solution induced by infrared radiation Journée de prospective scientifique, Paris, France, 20/01/2009

11.	P. Marquetand, V. Engel Analysis of laser fields for photoassociation and molecular stabilization derived from local control theory 2nd European Chemistry Congress, Torino, Italy, 16 - 20/09/2008

10.	P. Marquetand, V. Engel Local control theory applied to molecular photoassociation DPG Frühjahrstagung 2008, Darmstadt, 10 – 14/03/2008

9.	P. Marquetand, V. Engel Elementary reaction steps controlled by laser light Chem-SyStM 2007, Würzburg, 04/12/2007

8.	P. Marquetand, V. Engel Local control of the quantum dynamics in multiple potential wells DPG Frühjahrstagung 2007, Düsseldorf, 19 - 23/03/2007

7.	P. Marquetand, V. Engel Laser control of directional rotational motion in molecular motors 1st European Chemistry Congress, Budapest, 27 - 31/08/2006

6.	P. Marquetand, V. Engel Local control of the quantum dynamics in multiple potential wells Posterpreis der Quantum information, Quantum optics and Quantum control group (QQQ) des IOP. CCP6-Workshop on Coherent Control of Molecules, Birmingham, 03 - 05/07/2006

5.	P. Marquetand, C. Meier, V. Engel Local control of molecular fragmentation: The role of orientation Bunsen-Tagung 2006, Erlangen, 25 - 27/05/2006

4.	P. Marquetand, S. Gräfe, V. Engel Classical aspects of local control theory JCF-Frühjahrssymposium 2006, Konstanz, 16 - 18/03/2006

3.	P. Marquetand, V. Engel Predissociation and dissociation dynamics in quantum control fields GDCh-Jahrestagung 2005, Düsseldorf, 11 - 14/09/2005

2.	P. Marquetand, V. Engel Quantum control fields from instantaneous dynamics JCF-Frühjahrssymposium 2005, Berlin, 07 - 09/04/2005

1.	P. Marquetand, A. Materny, N. E. Henriksen, V. Engel Molecular orientation via a dynamically induced pulse-train: Wave packet dynamics of NaI in a static electric field DPG Frühjahrstagung 2004, München, 22 - 26/03/2004

Miscellaneous