Unit of theoretical and structural physico-chemistry

Activities

Activities per year 1987 2007 2009 2010 2011 2012 2013 2014 2015 2016 2018 2019 2023

• 405 Participation in conference
• 70 Participation in workshop, seminar, course
• 68 Participation to a Symposium, a study Day
• 63 External Thesis
• 177 More
  • 41 Publication peer-review
  • 34 Research/Teaching in a external institution
  • 33 Invited talk
  • 26 Oral presentation
  • 10 Visiting an external academic institution
  • 8 Membership of council
  • 6 Editorial activity
  • 6 Hosting a researcher
  • 4 Examination
  • 4 Membership of committee
  • 2 Membership of board
  • 1 Jury
  • 1 Hosting an academic visitor
  • 1 Other

Activities per year

Search results

• First Principles Evaluation of the Second Harmonic Generation Response of Reference Organic and Inorganic Crystals

  Francois Mairesse (Speaker), Lorenzo Maschio (Speaker) & Benoit CHAMPAGNE (Speaker)

  31 Jan 2023

  Activity: Talk or presentation types › Oral presentation

• Antioxidants (Journal)

  Laurence Leherte (Peer reviewer)

  6 Dec 2022

  Activity: Publication peer-review and editorial work types › Publication peer-review

• Nanoscale (Journal)

  Laurence Leherte (Peer reviewer)

  13 Oct 2022

  Activity: Publication peer-review and editorial work types › Publication peer-review

• Biomolecules (Journal)

  Laurence Leherte (Peer reviewer)

  5 Oct 2022

  Activity: Publication peer-review and editorial work types › Publication peer-review

• 2022 SRC Scientific Day

  Laurence Leherte (Participant)

  18 Oct 2022

  Activity: Participating in or organising an event types › Participation to a Symposium, a study Day

• NISM Annual Meeting 2022

  Vincent Liegeois (Organiser)

  6 Sept 2022

  Activity: Participating in or organising an event types › Participation in conference

• Jury de thèse intitulée "Structural characterization of chiral molecules : tool development for molecular simulations of vibrational circular dichroism spectra" de Jessica BOWLES

  Benoit CHAMPAGNE (Jury Member)

  28 Sept 2022

  Activity: Examinations › External Thesis

• 4th ISFMS—Biochemistry, Molecular Biology and Druggability of Proteins (ISFMS2022)

  Catherine Michaux (Contributor)

  6 Sept 2022 → 9 Sept 2022

  Activity: Participating in or organising an event types › Participation in conference

• Jury de thèse intitulée "Second Harmonic Generation of non-resonant Liquid : from the Molecular Response to the Experimental Measurement" de Guillaume LE BRETON

  Benoit CHAMPAGNE (Jury Member)

  22 Sept 2022

  Activity: Examinations › External Thesis

• NISM Annual Meeting 2022

  Freeda Yesudas (Contributor), Catherine Michaux (Contributor) & Francesca Cecchet (Contributor)

  6 Sept 2022

  Activity: Participating in or organising an event types › Participation in conference

• Unite d'appui a la recherche (Organisational unit)

  Laurence Leherte (Member)

  1 Sept 2022 → …

  Activity: Membership types › Membership of board

• Sustainable agriculture: biostimulants & biopesticides

  Catherine Michaux (Contributor)

  20 Sept 2022 → 22 Sept 2022

  Activity: Participating in or organising an event types › Participation in conference

• 19th International Conference on Density Functional Theory and its Applications (DFT 2022)

  Vincent Liegeois (Participant)

  28 Aug 2022 → 2 Sept 2022

  Activity: Participating in or organising an event types › Participation in conference

• All-Atom Quantum Mechanical Calculation of the Second Harmonic Generation of Fluorescent Proteins

  Pierre Beaujean (Speaker)

  29 Aug 2022

  Activity: Talk or presentation types › Oral presentation

• Second-order nonlinear optical responses of solutions of complex compounds – a multi-scale theoretical chemistry investigation

  Tárcius N. Ramos (Speaker)

  5 Jul 2022

  Activity: Talk or presentation types › Oral presentation

• Multi-State Multi-Addressable Multi-Functional Nonlinear Optical Molecular Switches - A Quantum Chemistry Perspective

  Benoit CHAMPAGNE (Speaker)

  4 Jul 2022 → 7 Jul 2022

  Activity: Talk or presentation types › Invited talk

• Description of chalcogen interactions in smoothed Cromer-Mann electron density distributions

  Laurence Leherte (Speaker)

  19 Jul 2022

  Activity: Talk or presentation types › Oral presentation

• Predicting and Interpreting Nonlinear Optical Responses Using Multi-Scale Approaches : Applications to Molecular Crystals and Photo-Switchable Self-Assembled Monolayers

  Benoit CHAMPAGNE (Speaker)

  22 Jul 2022

  Activity: Talk or presentation types › Invited talk

• Effets de la symétrie sur la réponse optique non linéaire du deuxième ordre d’interrupteurs moléculaires : le cas de complexes au ruthénium

  Pierre Beaujean (Speaker)

  29 Jun 2022

  Activity: Talk or presentation types › Oral presentation

• 17 eme Rencontre des Chimistes Théoriciens Francophones

  Vincent Liegeois (Participant)

  27 Jun 2022 → 1 Jul 2022

  Activity: Participating in or organising an event types › Participation in conference

• Excited-states properties of multi-resonance TADF materials

  Danillo Pires Valverde (Speaker)

  13 Jun 2022 → 16 Jun 2022

  Activity: Talk or presentation types › Oral presentation

• Influence of Various Lipid Building Blocks on the Second-Order Nonlinear Optical Responses of an Embedded Di-8-ANEPPS Probe

  Charlotte Bouquiaux (Speaker) & Benoit CHAMPAGNE (Speaker)

  23 Jun 2022

  Activity: Talk or presentation types › Invited talk

• Jury de thèse intitulée "Fine-tuning Photochromic Properties of N-Sakicylideneaniline Derivatives using a Cocrystal Engineering Approach" de Gabriel MERCIER

  Benoit CHAMPAGNE (Jury Member)

  3 May 2022

  Activity: Examinations › External Thesis

• 12th Symposium Computing pi-Conjugated Compounds

  Danillo Pires Valverde (Contributor)

  12 May 2022 → 14 May 2022

  Activity: Participating in or organising an event types › Participation in conference

• Unravelling the Effect of the Cholesterol Content on the Second-Order Nonlinear Optical Responses of Di-8-ANEPPS Embedded in Phosphatidylcholine Lipid Bilayers

  Charlotte Bouquiaux (Speaker), Frédéric Castet (Speaker) & Benoit CHAMPAGNE (Speaker)

  1 Apr 2022

  Activity: Talk or presentation types › Oral presentation

• Virtual Winter School on Computational Chemistry

  Laurence Leherte (Participant)

  21 Feb 2022 → 24 Feb 2022

  Activity: Participating in or organising an event types › Participation to a Symposium, a study Day

• Materials (Journal)

  Laurence Leherte (Peer reviewer)

  3 Jan 2022

  Activity: Publication peer-review and editorial work types › Publication peer-review

• Journal of Biomolecular Structure & Dynamics (Journal)

  Laurence Leherte (Peer reviewer)

  11 Jan 2022

  Activity: Publication peer-review and editorial work types › Publication peer-review

• Current trends in membrane protein biophysics

  Laurence Leherte (Participant)

  3 Dec 2021

  Activity: Participating in or organising an event types › Participation to a Symposium, a study Day

• Journal of Molecular Graphics and Modelling (Journal)

  Laurence Leherte (Peer reviewer)

  16 Dec 2021

  Activity: Publication peer-review and editorial work types › Publication peer-review

• Interprétation des Spectres de Génération de Fréquence Somme de Surfaces Fonctionnalisées par Méthodes Ab Initio

  Benoit CHAMPAGNE (Speaker)

  18 Dec 2021 → 21 Dec 2021

  Activity: Talk or presentation types › Invited talk

• Jury de thèse intitulée "Etude de Propriétés Physiques de Cellules Photovoltaïques à Colorants Organiques" de Mohamed Oussama ZOUAGHI

  Benoit CHAMPAGNE (Jury Member)

  17 Dec 2021

  Activity: Examinations › External Thesis

• All-Atom Quantum Mechanical Calculation of the Second-Harmonic Generation of Fluorescent Proteins

  Pierre Beaujean (Speaker)

  19 Nov 2021

  Activity: Talk or presentation types › Oral presentation

• Journal of Chemical Theory and Computation (Journal)

  Laurence Leherte (Peer reviewer)

  22 Nov 2021

  Activity: Publication peer-review and editorial work types › Publication peer-review

• Theoretical Design of Multi-State Multi-Addressable Multi-Functional Molecular Switches

  Benoit CHAMPAGNE (Speaker)

  29 Nov 2021 → 2 Dec 2021

  Activity: Talk or presentation types › Invited talk

• 2021 European Conference of Theoretical and Computational Chemistry.

  Laurence Leherte (Participant)

  18 Nov 2021 → 19 Nov 2021

  Activity: Participating in or organising an event types › Participation to a Symposium, a study Day

• Jury de thèse intitulée "Simulation of Second-Order Nonlinear Optical Properties of Organic Systems : From the Isolated Molecule to Nanoparticules" de Laurie LESCOS

  Benoit CHAMPAGNE (Jury Member)

  25 Oct 2021

  Activity: Examinations › External Thesis

• Jury de thèse intitulée "Density Functional Theory Investigation of the Structures, Electronic Properties and Absorption Spectrum or Organic-Inorganic Hybrid Perovskites and Molecular Photosensitizers using High Performance Computing" de Milosz MARTYNOW

  Benoit CHAMPAGNE (Jury Member)

  Oct 2021

  Activity: Examinations › External Thesis

• Research Institutes Day

  Virgile Neyman (Poster)

  5 Oct 2021

  Activity: Participating in or organising an event types › Participation to a Symposium, a study Day

• Jury de thèse intitulée "Dual-Functioning Organic Photosensitizers for Image-Guided Photodynamic Therapy" de Pierre BEAUJEAN

  Benoit CHAMPAGNE (Jury Member)

  7 Oct 2021

  Activity: Examinations › External Thesis

• Molecules (Journal)

  Laurence LEHERTE (Peer reviewer)

  1 Oct 2021

  Activity: Publication peer-review and editorial work types › Publication peer-review

• Molecules (Journal)

  Laurence LEHERTE (Peer reviewer)

  1 Sept 2021

  Activity: Publication peer-review and editorial work types › Publication peer-review

• Jury de la thèse intitulée "Dual-Functioning Organic Photosensitizers for Image-Guided Photodynamic Therapy" de Jasper DECKERS

  Benoit CHAMPAGNE (Jury Member)

  22 Sept 2021

  Activity: Examinations › External Thesis

• Study of Drug-Protein non-Covalent Interactions from Smoothed Electron Density Distributions

  Laurence LEHERTE (Speaker)

  18 Aug 2021

  Activity: Talk or presentation types › Oral presentation

• 11th International Conference on Advanced Vibrational Spectroscopy (ICAVS 11)

  Vincent Liegeois (Participant)

  23 Aug 2021 → 26 Aug 2021

  Activity: Participating in or organising an event types › Participation in conference

• Nonlinear Optical Switches : From Molecules in Solution to Functionalized Surfaces and Solids - a Quantum Chemistry Perspective

  Benoit CHAMPAGNE (Speaker)

  9 Aug 2021 → 13 Aug 2021

  Activity: Talk or presentation types › Invited talk

• Nonlinear Optical Switches : from Molecules in Solution to Functionalized Surfaces and Solids - Quantum Chemistry Aspects

  Benoit CHAMPAGNE (Speaker)

  9 Jul 2021

  Activity: Talk or presentation types › Invited talk

• ACS Webinar "Artificial Molecular Machines: Going from Solution to Surfaces" by Sir Fraser Stoddart

  Laurence LEHERTE (Participant)

  25 Jun 2021

  Activity: Participating in or organising an event types › Participation in workshop, seminar, course

• Molecular Simulation (Journal)

  Laurence LEHERTE (Peer reviewer)

  10 Jun 2021

  Activity: Publication peer-review and editorial work types › Publication peer-review

• Biology (Journal)

  Laurence LEHERTE (Peer reviewer)

  28 Jun 2021

  Activity: Publication peer-review and editorial work types › Publication peer-review