consortium des équipements de calcul intensif

Champagne, Benoit (CoI)

Technological Platform High Performance Computing

Project: Research

Status	Finished
Effective start/end date	1/01/11 → 31/12/22

170 Article
15 Conference contribution
11 Poster
3 Chapter (peer-reviewed)
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TDDFT Investigation of the Raman and Resonant Raman Spectra of Fluorescent Protein Chromophore Models
Zutterman, F., Liégeois, V. & Champagne, B., 12 May 2022, In: The Journal of Physical Chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical. 126, 18, p. 3414-3424 11 p.
Research output: Contribution to journal › Article › peer-review
Spiro-Based Thermally Activated Delayed Fluorescence Emitters with Reduced Nonradiative Decay for High-Quantum-Efficiency, Low-Roll-Off, Organic Light-Emitting Diodes
Sharma, N., Maciejczyk, M., Hall, D., Li, W., Liégeois, V., Beljonne, D., Olivier, Y., Robertson, N., Samuel, I. D. W. & Zysman-Colman, E., 22 Sept 2021, In: ACS Applied Materials & Interfaces. 13, 37, p. 44628-44640 13 p.
Research output: Contribution to journal › Article › peer-review
Topological investigation of the reaction mechanism of glycerol carbonate decomposition by bond evolution theory
Adjieufack, A. I., Liégeois, V., Mbouombouo Ndassa, I. & Champagne, B., 9 Mar 2021, In: RSC Advances. 11, 17, p. 10083-10093 11 p.
Research output: Contribution to journal › Article › peer-review

Open Access
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52 Downloads (Pure)

4 Active
8 Finished

Theoretical study of the thermochromism of organic compounds in the crystalline solid state
Quertinmont, J. (PI) & Champagne, B. (Supervisor)
1/01/16 → …
Project: PHD
Molecular Dynamics simulations of energetic, structural, and dynamical properties of proteins in micellar medium
Leherte, L. (Researcher), Michaux, C. (Researcher) & Vercauteren, D. (CoI)
1/10/07 → …
Project: Research
Multiresolution analysis of electron density maps
Leherte, L. (PI), Vercauteren, D. (PI) & Meurice, N. (Researcher)
1/09/95 → …
Project: Research

18 Participation in conference
16 Participation to a Symposium, a study Day
12 Participation in workshop, seminar, course
4 Invited talk
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- 4 Oral presentation
- 3 Visiting an external academic institution

Modelling Nanostructures Symposium
Mayer, A. (Poster), Langlet, R. (Poster), Åstrand, P. O. (Poster) & Lambin, P. (Poster)
31 Jan 2019 → 1 Feb 2019
Activity: Participating in or organising an event types › Participation in conference
NaXys kick-off meeting
Mayer, A. (Poster)
20 Sept 2018
Activity: Participating in or organising an event types › Participation to a Symposium, a study Day
10th CECI Scientific Meeting
Mayer, A. (Contributor)
4 May 2018
Activity: Participating in or organising an event types › Participation to a Symposium, a study Day

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

On the intrinsic flexibility of the μ opioid receptor through multiscale modeling approaches
Fossepre, M. (Author)Vercauteren, D. (Supervisor), Laaksonen, A. (Co-Supervisor), Wouters, J. (President), Lambiotte, R. (Jury), Frédérick, R. (Jury) & Surin, M. (Jury), 20 Jan 2016
Student thesis: Doc types › Doctor of Sciences

FNRS subvention for "10th Europen Conference on Computational Chemistry"
Leherte, L. (Recipient), Aug 2015
Prize: Other distinction