99.	J. Westermayr, P. Marquetand Machine Learning Spectroscopy to Advance Computation and Analysis submitted, (2025).

98.	L. T.-H. Ngo, J. Codere, J. Ohara, B. Kaufman, M. G. Cohen, T. Rozgonyi, P. Marquetand, M. Bain, B. J. Pearson, R. Forbes, T. Weinacht Attosecond Coherent Measurement of Coupled Electronic-Nuclear Dynamics submitted, (2025).

97.	M. X. Tiefenbacher, B. Bachmair, C. G. Chen, J. Westermayr, P. Marquetand, J. C. B. Dietschreit, L. González Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentials Digital Discovery, 4, 1478-1491 (2025).

96.	S. Mai, B. Ashwood, P. Marquetand, C. E. Crespo-Hernández, L. González Correction to “Solvatochromic Effects on the Absorption Spectrum of 2-Thiocytosine” J. Phys. Chem. B, 128, 12668 (2024).

95.	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).

94.	S. Mausenberger, C. Müller, A. Tkatchenko, P. Marquetand, L. González, J. Westermayr SpaiNN: equivariant message passing for excited-state nonadiabatic molecular dynamics Chem. Sci., 15, 12526–12536 (2024).

93.	B. Kaufman, P. Marquetand, T. Rozgonyi, T. Weinacht Long Lived Electronic Coherences in Molecular Wave Packets Probed with Pulse Shape Spectroscopy Phys. Rev. A, 110, 033118 (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"

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