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Theoretical photochemist

I. By the way

Courses & Training Teachings & Responsibilities Courses & Training

• Promotion DR2 – CNRS Section 13 – Competition 2022
• Habilitation to Supervise Research (HDR) in Chemistry – University of Montpellier – 2016
  "Diabatic Strategies for Photochemical Quantum Dynamics"
• Recruitment CR2 – CNRS Section 13 – Competition 2008 / Assignment 2009
• Post-doctoral contract – Imperial College London, United Kingdom – 2004-2008
• Computational Photochemistry Group (Supervisor: Prof. Michael A. Robb)
• PhD in Chemistry – Université Paris-Sud, Orsay – 2001-2004 UMR 8000, Orsay
  Director: Prof. Michèle Desouter-Lecomte
  "Quantum dynamics around key regions in energy landscapes"
• Aggregation of Physical Sciences, Option Chemistry – ENS Cachan – 2000
• Magisterium in Molecular Physical Chemistry, Paris-Sud University, Orsay – 1997-2001

Teachings & Responsibilities

• M2 – Theoretical Chemistry RFCT South-West Pole: Theoretical Photochemistry
• Scientific co-facilitator of Department D5 ("Methodologies" axis)
• Member of the Bureau of the GDR (3754) UP
• President of the YTCA Association

Ii. Research activities

Modeling excitation energy transfer in dendrimers

The electronic and vibrational properties of dendrimers make it possible to describe the photoinduced process of excitation energy transfer from the periphery to the core via vibronic diabatic models of parameterized Hamiltonian transport between oligomers in weak interaction (pseudofragmentation associated with meta-substitution). Each oligomer is in turn decomposable into strongly coupled benzene and acetylenic sites.

Research themes Collaborations & Contracts Research themes

• Theoretical and computational photochemistry; non-adiabatic quantum dynamics; quantum chemistry for excited electronic states; conical intersections; Analytical models of effective vibronic diabatic Hamiltonians.
• Methodological development oriented towards the modeling and simulation of ultrafast photoinduced phenomena in molecular and macromolecular systems (internal conversion, photoreactivity, photostability, transport/migration of electron excitation or charge) observable experimentally by time-resolved spectroscopy techniques (femtochemistry and attophysics).

Collaborations & Contracts

• Invited expert (key member) by Wei Wu's group (Department of Chemistry, Xiamen University, China) in the framework of the "111" project named "Nano surface/interface and cluster chemistry in energy material chemistry", administered by the "State Key Laboratory of Physical Chemistry of Solid Surfaces" (PCOSS).
• Guest professor by the group of Ágnes Vibók (Department of Theoretical Physics, University of Debrecen, Hungary) in the framework of the project "EU-funded Hungarian grant" EFOP-3.6.2-16-2017-00005.
• Partner in an interdisciplinary collaborative project France (IN2P3-INSMI-INC)/Germany "CNRS|80 Prime": Algorithms in Molecular Quantum Dynamics, led by Clotilde Fermanian Kammerer, U. Gustave Eiffel (Créteil).
• Co-investigator as part of a program funded by the i-Site MUSE (Montpellier University of Excellence) call for projects "Research 2021": ERC springboard, led by Bruno Senjean (CPTM@ICGM): Quantum Algorithms for Chemistry, Towards a Unified Strategy (QACTUS) [Quantum Computing, or How to Make This New Technological Revolution Effective for Environment Protection and Human Health?].

Other informal collaborations underway:

• Denis Jacquemin and Morgane Vacher (Nantes)
• Michèle Desouter-Lecomte, David Lauvergnat and Federica Agostini (Orsay)
• Caroline Lasser (Munich, Germany) Benoît Braïda (Paris) Michael A. Robb and Graham A. Worth (London, United Kingdom)
• Emmanuel Fromager and Saad Yalouz (Strasbourg)

Iii. Scientific production