CÉCI – Consortium des Équipements de Calcul Intensif

Projets

Projets par an 2017 2019 2020 2021 2026

• 4 Terminé
• 8 Actif

Projets par an

Résultats de recherche

• Actif

  Fred's PhD thesis

  Kaka, K. S. & CHAMPAGNE, B.

  1/10/21 → 1/10/26

  Projet: Projet de thèse

• ACTOP-NOMENA: Modification active des propriétés optiques des nano-particules nonmetalliques

  HONET, A. & Henrard, L.

  1/10/21 → 30/09/23

  Projet: Recherche

  • Nanosystems 100%
  • Light absorption 92%
  • Optical properties 76%
  • Nanostructures 75%
  • Hubbard model 62%

• Kinetic Monte Carlo modelling of interlocked catenane formation

  Datta, A., Das, A. & Leherte, L.

  19/03/21 → …

  Projet: Recherche

• Quantum Chemical Investigations of the Organic and Organometallic Crystalline Solid State – Design of Materials with Outstanding Electronic, Electrical, Optical, and Electro-Optical Properties

  Mairesse, F. & CHAMPAGNE, B.

  1/10/20 → 1/10/26

  Projet: Projet de thèse

  • lithium niobate 100%
  • Second-Harmonic Generation 58%
  • 4-nitroaniline 46%
  • harmonic generations 44%
  • Second-Order Nonlinear Optical Susceptibility 44%

• Multiresolution topological and non-covalent interaction analyses of electron density maps

  Leherte, L.

  1/03/20 → …

  Projet: Recherche

  • phosphoserine phosphatase 100%
  • Electron Density 97%
  • Phosphoserine 77%
  • Molecular Dynamics Simulation 60%
  • ligands 54%

• SURFASCOPE: Surface Enhanced Spectroscopy by Second-Principles Calculations

  Gonze, X., RIGNANESE, G. M., Henrard, L., Liegeois, V., Banse, T. & Matatu Mbengo, C.

  1/10/19 → 30/09/24

  Projet: Recherche

  • Plasmonics 100%
  • Nanowires 84%
  • Nanostructures 83%
  • Gold 73%
  • high aspect ratio 72%

• Convention de collaboration/co-financement avec UHasselt

  Henrard, L., Guillaume, E., Haenen, K. & VanPoucke, D.

  1/10/19 → 30/09/23

  Projet: Recherche

  • diamonds 100%
  • carbon 20%
  • pushing 19%
  • surface reactions 16%
  • tuning 11%

• Study of lipase structures through MD simulations

  Labar, G., Wouters, J. & Leherte, L.

  22/02/19 → …

  Projet: Recherche

  • Monoacylglycerol Lipases 100%
  • Crystallography 91%
  • Monoglyceride 85%
  • Computer Simulation 59%
  • Molecular Dynamics Simulation 46%
• Terminé

  2DHetero: hBN/Graphene 2D Heterostructures: from scalable growth to integration

  Lukosius, M., Colomer, J., Henrard, L. & Vignaud, D.

  1/01/20 → 31/12/22

  Projet: Recherche

  • boron nitrides 100%
  • nucleation 26%
  • mechanical devices 16%
  • electronics 12%
  • microelectronics 11%

• ACTOP-NOMENA: Modification active des propriétés optiques des nano-particules non metalliques

  HONET, A. & Henrard, L.

  1/10/19 → 30/09/21

  Projet: Recherche

  • metal oxides 100%
  • nanocrystals 92%
  • nanoparticles 70%
  • optical properties 67%
  • tuning 58%

• Kinetic Monte Carlo modelling of graphitic-type sheet synthesis

  Datta, A., Mukhopadhyay, T. K. & Leherte, L.

  16/06/18 → 30/04/21

  Projet: Recherche

  • Graphitic Carbon Nitride 100%
  • Ammelide 86%
  • ureas 60%
  • Urea 59%
  • Oxalonitrile 51%

• Density Functional Theory Study of 1,3-Dipolar Cycloadditions Reactions

  CHAMPAGNE, B. & Adjieufack, A. I.

  1/11/17 → 31/12/20

  Projet: Recherche

  • Gibbs Free Energy 89%
  • 3-Hydroxypropanal 84%
  • Boron compounds 81%
  • cycloaddition 72%
  • Density Functional Theory 69%