Journée Thématique d'Axe

Jeudi 22 Juin 2023 à 9h00.

1/2 journée de l’axe « Théorie et Modélisation » 2023

''9h15
"Visualizing a Functional Rare State of Human HSP90 ATP Binding Domain"
Elisa Rioual

9h45
"Modelling changes of permittivity within charged lipid bilayer stacks by solving a modified Poisson-Boltzmann equation mapped onto Molecular Dynamics simulations"
Ludovic Gardré

10h15
"Effects of perturbations on a traffic lane"
Valentin Anfray

10h40 : coffee break

11h00
"Approximate range-separated DFT for the band structure of complex materials"
Thomas Niehaus

11h30
"Developing a potential for clay/organic interactions via a machine learning approach"
Chloé SANZ

12h00
"Understanding transformation-induced plasticity in zirconia ceramics using machine learning potentials"
Gaël Huynh

12h20
"Multiscale simulations of thermal transport around optically heated heterogeneous nanoparticles in water"
Julien El Hajj

12h40 : end of the meeting

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