Fred's PhD thesis

Kaka, Komlanvi Sèvi (PI)
Champagne, Benoit (Supervisor)

Unit of theoretical and structural physico-chemistry

Project: PHD

Status	Active
Effective start/end date	1/10/21 → 1/10/26

3 Article

On the third-order nonlinear optical responses of cis and trans stilbenes - a quantum chemistry investigation
Kaka, K. S., Castet, F. & Champagne, B., 25 Apr 2024, In: PCCP : Physical Chemistry Chemical Physics. 26, 20, p. 14808-14824 17 p., 14808.
Research output: Contribution to journal › Article › peer-review

File
2 Downloads (Pure)
A quantum chemical investigation of the second hyperpolarizability of p-nitroaniline
Kaka, K. S., Beaujean, P., Castet, F. & Champagne, B., 21 Sept 2023, In: The Journal of chemical physics. 159, 11, 114104.
Research output: Contribution to journal › Article › peer-review

Open Access
File
39 Downloads (Pure)
Second harmonic responses of clickable azobenzenes in solution: Comparative Hyper-Rayleigh scattering and density functional theory studies
Dellai, A., Courdurié, C., Dubuis, S., Kaka, K. S., Champagne, B., Vellutini, L., Genin , E., Rodriguez, V. & Castet, F., Dec 2023, In: Dyes and pigments. 220, 111744, 111744.
Research output: Contribution to journal › Article › peer-review

Open Access
File
15 Downloads (Pure)

1 Finished

CÉCI – Consortium of high performance computing centers
CHAMPAGNE, B. (PI), Lazzaroni, R. (PI), Geuzaine , C. (CoI), Chatelain, P. (CoI) & Knaepen, B. (CoI)
1/01/18 → 31/12/22
Project: Research

5 Oral presentation
1 Participation in conference
1 Participation in workshop, seminar, course

Congress of Theoretical Chemists of Latin Expression (Chimistes Théoriciens d'Expression Latine) 2024
Kaka, K. S. (Poster)
30 Jun 2024 → 5 Jul 2024
Activity: Participating in or organising an event types › Participation in conference
On the third-order nonlinear optical responses of cis and trans stilbenes – a quantum chemistry investigation
Kaka, K. S. (Speaker)
21 May 2024
Activity: Talk or presentation types › Oral presentation
Molecular Response Properties Summer School 2023 (MRPSS 2023)
Kaka, K. S. (Participant) & Mairesse, F. (Participant)
12 Jun 2023 → 16 Jun 2023
Activity: Participating in or organising an event types › Participation in workshop, seminar, course

High Performance Computing Technology Platform
Champagne, B. (Manager)
Technological Platform High Performance Computing
Facility/equipment: Technological Platform