Activities per year
Activities
- 1 - 50 out of 71 results
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9th EuChemS Chemistry Congress
Leherte, L. (Speaker)
7 Jul 2024 → 11 Jul 2024Activity: Talk or presentation types › Oral presentation
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Unraveling the behavior of Ca anode in B-containing salt electrolytes: a computational study
Beaujean, P. (Speaker)
9 Jul 2024Activity: Talk or presentation types › Oral presentation
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Exploration of charge-compensating correction schemes for predicting the redox potentials: application to nitroxides
Beaujean, P. (Speaker)
4 Jul 2024Activity: Talk or presentation types › Oral presentation
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Designing boron and nitrogen containing materials for light-emitting applications: A computational perspective.
Olivier, Y. (Speaker)
2 Jul 2024Activity: Talk or presentation types › Oral presentation
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Controlling spin by materials design in light-emitting applications: A computational perspective.
Olivier, Y. (Speaker)
21 Jun 2024Activity: Talk or presentation types › Oral presentation
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Brief overview on the modeling of the charge transport and mechanical properties of organic conjugated materials.
Olivier, Y. (Speaker)
16 May 2024Activity: Talk or presentation types › Oral presentation
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On the third-order nonlinear optical responses of cis and trans stilbenes – a quantum chemistry investigation
Kaka, K. S. (Speaker)
21 May 2024Activity: Talk or presentation types › Oral presentation
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Second Harmonic Generation Responses of Liquid Water Using Sequential QM/MM: from Bulk to Interface
Ramos, T. N. (Speaker)
22 Apr 2024Activity: Talk or presentation types › Oral presentation
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Theoretical Insights into the Photophysics of Inverted Singlet-Triplet Gap Materials
Valverde, D. (Speaker)
8 Feb 2024 → 9 Feb 2024Activity: Talk or presentation types › Oral presentation
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Pourrais-tu vivre dans un monde sans maths?
Mauroy, A. (Speaker)
31 Jan 2024Activity: Talk or presentation types › Oral presentation
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Estimation of regions of attraction with formal certificatesin a purely data-driven setting
Mauroy, A. (Speaker) & Sootla, A. (Speaker)
Dec 2023Activity: Talk or presentation types › Oral presentation
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Koopman operator theory and spectral network identification
Mauroy, A. (Speaker)
Dec 2023Activity: Talk or presentation types › Oral presentation
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Computational Insights into the Photophysics of Inverted Singlet-Triplet Gap Materials
Valverde, D. (Speaker)
11 Dec 2023Activity: Talk or presentation types › Oral presentation
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Unraveling the Second Harmonic Generation Responses at the Liquid-Vacuum Interfaces
Ramos, T. N. (Speaker)
30 Nov 2023Activity: Talk or presentation types › Oral presentation
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Controlling spin by materials design in light-emitting applications: A computational perspective
Olivier, Y. (Speaker)
5 Oct 2023Activity: Talk or presentation types › Oral presentation
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Controlling spin by materials design in light-emitting applications: A computational perspective
Olivier, Y. (Speaker)
12 Sept 2023Activity: Talk or presentation types › Oral presentation
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Quantum electrodynamics theory and computational implementation of the hyper-Rayleigh scattering optical activity spectroscopy
Bonvicini, A. (Speaker)
4 Sept 2023 → 9 Sept 2023Activity: Talk or presentation types › Oral presentation
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Ruthenium Complexes as a Test System to Unravel the Symmetry Effects on the Second-Order Nonlinear Optical Responses of Molecular Switches
Beaujean, P. (Speaker)
28 Aug 2023Activity: Talk or presentation types › Oral presentation
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International Joint Conference on Artificial Intelligence 2023 (IJCAI 23)
Fink, J. (Speaker)
19 Aug 2023 → 25 Aug 2023Activity: Talk or presentation types › Oral presentation
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Chasing patterns: Turing instability from networks to higher-order structures and topological signals
Muolo, R. (Speaker)
4 Jul 2023Activity: Talk or presentation types › Oral presentation
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Turing theory on discrete topologies: from networks to higher-order structures
Muolo, R. (Speaker)
20 Jun 2023Activity: Talk or presentation types › Oral presentation
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Nonlinear Optics (NLO) day
Kaka, K. S. (Speaker)
8 Jun 2023Activity: Talk or presentation types › Oral presentation
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Implicit solvation models for NLO properties: from Onsager to PCM and SMD
Beaujean, P. (Speaker)
31 May 2023Activity: Talk or presentation types › Oral presentation
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Application de la classe inversée dans le cadre du cours de Physique Mathématique – Bloc 2 Physique
Olivier, Y. (Speaker)
17 May 2023Activity: Talk or presentation types › Oral presentation
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First Principles Evaluation of the Second Harmonic Generation Response χ^((2)) of Reference Organic and Inorganic Crystals
Mairesse, F. (Speaker) & Champagne, B. (Speaker)
22 May 2023Activity: Talk or presentation types › Oral presentation
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A Quantum Chemical Investigation of the Second Hyperpolarizability of P-nitroaniline
Kaka, K. S. (Speaker)
22 May 2023Activity: Talk or presentation types › Oral presentation
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The Time-dependent Hartree-Fock and Time-Dependent Density Functional Theory methods for calculating NLO properties
Kaka, K. S. (Speaker)
28 May 2023Activity: Talk or presentation types › Oral presentation
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Diffusion-driven instability of topological signals coupled by the Dirac operator
Muolo, R. (Speaker)
13 May 2023 → 18 May 2023Activity: Talk or presentation types › Oral presentation
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Chasing patterns : Turing theory from networks to higher-order structures and topological signals
Muolo, R. (Speaker)
3 Apr 2023Activity: Talk or presentation types › Oral presentation
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A Theoretical Insight into Photophysics of TADF Emitters
Valverde, D. (Speaker)
21 Apr 2023Activity: Talk or presentation types › Oral presentation
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Une nuée de robots
SION, A. (Speaker)
24 Mar 2023Activity: Talk or presentation types › Oral presentation
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A Data-Driven Approach to Stability Using the Koopman Operator
Mauroy, A. (Speaker) & Sootla, A. (Speaker)
Mar 2023Activity: Talk or presentation types › Oral presentation
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Insights from computational modeling on the singlet-triplet conversion in MR-TADF and invert singlet-triplet gap materials
Olivier, Y. (Speaker)
10 Mar 2023Activity: Talk or presentation types › Oral presentation
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Photophysics (II) - Electronic structure calculations of TADF emitters
Olivier, Y. (Speaker)
23 Mar 2023Activity: Talk or presentation types › Oral presentation
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Insights from computational modeling on the singlet-triplet conversion in MR-TADF and invert singlet-triplet gap materials
Olivier, Y. (Speaker)
2 Feb 2023Activity: Talk or presentation types › Oral presentation
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Third-order nonlinear optical properties of organic 𝝅-conjugated molecules: quantum chemistry studies and comparison with experiment
Kaka, K. S. (Speaker)
2023Activity: Talk or presentation types › Oral presentation
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PhD student day
SION, A. (Speaker)
12 Dec 2022Activity: Talk or presentation types › Oral presentation
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Insights from computational modeling on the singlet-triplet conversion in MR-TADF and invert singlet-triplet gap materials
Olivier, Y. (Speaker)
2 Dec 2022Activity: Talk or presentation types › Oral presentation
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A Computational Journey through Thermally Activated Delayed Fluorescence Materials.
Olivier, Y. (Speaker)
8 Dec 2022Activity: Talk or presentation types › Oral presentation
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Hyper-Rayleigh scattering optical activity: a computational implementation
Bonvicini, A. (Speaker)
23 Nov 2022Activity: Talk or presentation types › Oral presentation
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Diffusion-driven instabilities for systems on networks and simplicial complexes
Muolo, R. (Speaker)
8 Nov 2022Activity: Talk or presentation types › Oral presentation
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A computational journey through the modeling of pi-conjugated polymers
Olivier, Y. (Speaker)
9 Nov 2022Activity: Talk or presentation types › Oral presentation
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Dictionnaire bilingue contextuel entre langue des signes (LSFB) et français
Meurant, L. (Speaker), Fink, J. (Speaker), Fonze, S. (Speaker), ANDRE, M. (Speaker), Poitier, P. (Speaker), Heylens, A. (Speaker), Sonnemans, B. (Speaker), Frénay, B. (Speaker), Meurice, L. (Speaker) & Cleve, A. (Speaker)
12 Oct 2022Activity: Talk or presentation types › Oral presentation
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All-Atom Quantum Mechanical Calculation of the Second Harmonic Generation of Fluorescent Proteins
Beaujean, P. (Speaker)
29 Aug 2022Activity: Talk or presentation types › Oral presentation
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Second-order nonlinear optical responses of solutions of complex compounds – a multi-scale theoretical chemistry investigation
Ramos, T. N. (Speaker)
5 Jul 2022Activity: Talk or presentation types › Oral presentation
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Description of chalcogen interactions in smoothed Cromer-Mann electron density distributions
Leherte, L. (Speaker)
19 Jul 2022Activity: Talk or presentation types › Oral presentation
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Effets de la symétrie sur la réponse optique non linéaire du deuxième ordre d’interrupteurs moléculaires : le cas de complexes au ruthénium
Beaujean, P. (Speaker)
29 Jun 2022Activity: Talk or presentation types › Oral presentation
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Photophysical study of mini-β-carotenes by multi-configurational theoretical methods
Bonvicini, A. (Speaker)
27 Jun 2022 → 1 Jul 2022Activity: Talk or presentation types › Oral presentation
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Quantum Chemistry Investigations on Nonlinear Optical Materials: from Reference to Complex Systems
Beaujean, P. (Speaker)
2 Jun 2022Activity: Talk or presentation types › Oral presentation
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A Computational Journey through Thermally Activated Delayed Fluorescence Materials
Olivier, Y. (Speaker)
30 Jun 2022Activity: Talk or presentation types › Oral presentation