Accueil du site > Équipes de recherche > Agrégats > Theory days > Theory days on Dynamics of Irradiation
Toulouse, November 25-27, 2015
par
- 30 avril 2015
Organizers : F. Calvayrac, P. M. Dinh, C. Meier, P. Romaniello, and E. Suraud
Location : IRSAMC seminar room
Following the tradition of the previous successful six meetings (2009-2014), the Theory Days workshop aims at stimulating constructive discussions, collaborations, and knowledge exchange among a selected group of theoreticians. This year the workshop will be dedicated to various methods and numerical treatments of the dynamics of irradiated nanosystems.
A molecule, a cluster or a solid, excited by a strong external electromagnetic field, as a laser pulse or a swift charged projectile, can respond in several ways but the first agents that react are the electrons of the system. They can reach excited states or can even be expelled from the system, leading to electronic emission. The theoretical and numerical description of the dynamics of ionization constitutes a growing and challenging field in molecular and cluster physics, especially regarding the numerous experimental measurements of energy- and/or angle-resolved distributions of emitted electrons. One can also consider high harmonic generation (HHG) in clusters and molecules with their many potential applications, in particular in attosecond science, which open the possibility to explore molecules at time and spatial scales not attainable before. The commonly accepted mechanism of HHG consists in electron emission from a system irradiated in the infrared domain, then an excursion of the emitted electrons away from the parent molecule, and finally recombination of these electrons with the remaining ones in the molecule. There is however very few fully microscopic calculations in real time and real space of such a recombination process, a major hindrance being precisely the description of the possibly very large excursion of emitted electrons. Another important issue of irradiation dynamics is connected to the degradation of solvated biomolecules by low energy electrons. Indeed it has been shown experimentally that the low energy electrons which are produced by a strong electromagnetic perturbation in solvated DNA can interact or recombine to other molecular species from the environment of the primary target, and finally lead to DNA break-up. This mechanism is known as the dissociative electron attachment and is widely studied experimentally. However it is still poorly described microscopically with a proper account of environment effects, as it remains well beyond present day computational capabilities.
We plan to gather people from various groups working in this domain, mostly in western Europe. The workshop is intended to be a working forum, thus rather informal. The format will consist in a series of long detailed talks, typically 40 mn talk + 10 mn for questions, focusing in particular on ongoing problems and open ends. Some free time will furthermore be reserved for collective discussions. We thus urge participants to prepare their talks in this spirit. Ultimately a most efficient organization would consist in having a limited number of talks per representative group in order to avoid doublings.
If a consensus is reached during the workshop it would be highly profitable to envision a sequel to this workshop in order to possibly establish, at best collaborative links between the various groups with possible exchange of researchers and students, at worst an ongoing follow up of progress in the field.
Wed 14:00 – 15:00 | Y. Mairesse | CELIA, Bordeaux, France | A few open questions in high-order harmonic generation experiments |
Wed 15:00 – 16:00 | F. Calvayrac | Institut des Molécules et Matériaux du Mans, Université du Maine, France | The PWTELEMAN implementation of TDDFT : performance, applications, comparisons, future |
Wed 16:00 – 17:00 | M. Vincendon | Laboratoire de Physique Théorique de Toulouse, Université Paul Sabatier, France | Boundary conditions in the context of 3D TDDFT |
Wed 17:00 – 18:00 | C. Verdozzi | Mathematical Physics Dept, Lund University, Sweden | Time-resolved spectroscopy at surfaces and adsorbate dynamics : insights from a finite, model-system approach |
Thu 09:00 - 10:00 | E. Charron | Institut des Sciences Moléculaires d’Orsay, Université Paris-Sud, Orsay, France | Electromagnetic transparency induced by dipole interactions |
Thu 10:00 – 11:00 | U. de Giovannini | Nano-bio Spectroscopy Group, San Sebastian, Spain | Simulating photoelectron spectroscopy from finite to extended systems with TDDFT : challenges and perspectives |
Thu 11:00 – 12:00 | M. Ivanov | Max Born Institute, Berlin, Germany | High harmonic generation : new ideas and new questions |
Thu 14:15 – 15:15 | D. Dundas | Queen University, Belfast, UK | TDDFT simulations of harmonic generation in benzene and methyl oxirane |
Thu 15:15 –16:15 | A. Scrinzi | Ludwig Maximilians University, Munich, Germany | Perfect absorption for few-body systems and its application |
Thu 16:15 - 17:15 | C. Attaccalite | CINaM, Aix-Marseille Universite, Marseille, France | Non-linear response of dielectrics : a real-time approach based on density-polarization functional theory |
Fri 09:00 – 10:00 | D. Sangalli | Dipartimento di Fisica, Politecnico di Milano, Italy | Fs carrier dynamics and transient absorption in bulk Silicon - First principles non-equilibrium Green functions meets pump and probe experiments |
Fri 10:00 – 11:00 | F. Martin | Departimento de Quimica, Universidad Autonoma de Madrid, Spain | Pump-probe schemes for attosecond molecular dynamics |
Fri 11:00 – 12:00 | F. Catoire | CELIA, Bordeaux, France | Strong field physics : going from IR to mid-IR regime |
Dans la même rubrique :