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