Publications scientifiques

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61. S. Horton, Y. Liu, P. Chakraborty, P. Marquetand, T. Rozgonyi, S. Matsika, T. Weinacht
Strong field vs weak field ionization pump-probe spectroscopy
submitted, , (2018).
60. S. Mai, P. Marquetand, L. González
Nonadiabatic Dynamics: The SHARC Approach
WIREs Comput. Mol. Sci., , DOI: 10.1002/wcms.1370 (2018).
59. B. Maryasin, P. Marquetand, N. Maulide
Machine Learning for Organic Synthesis: Robots Replacing Chemists?
Angew. Chem. Int. Ed., , DOI: 10.1002/anie.201803562 (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
Cover image at acs.org
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).

Chapitres, etc.

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).
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).

Exposés

44. P. Marquetand*
Machine Learning Potentails 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

Présentations des posters

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

Divers

2. P. Marquetand
Das JungChemikerForum und die GDCh-Jahrestagung
Artikel
Nachr. Chem. 12, 1283 - 1284 (2005).
1. P. Marquetand
Das JCF Würzburg
Posterpräsentation
GDCh-Jahrestagung 2005, Düsseldorf, 11 - 14/09/2005