Gonzalez Lezana, Tomas BOSSION, Duncan SCRIBANO, Yohann Bhowmick, Somnath Suleimanov, Yury

The H + HeH$^+ \rightarrow$ He + H$_2^+$ reaction has been studied by means of a combination of theoretical approaches: a statistical quantum method (SQM), ring polymer molecular dynamics (RPMD) and the quasiclassical trajectory (QCT) method. Cross sections and rate constants have been calculated in an attempt to investigate the dynamics of the pro...

Angot, Philippe Cheaytou, Rima

Recently, a new family of splitting methods, the so-called vector penalty-projection methods (VPP) were introduced by Angot et al. [2, 3] to compute the solution of unsteady incompressible fluid flows and to overcome most of the drawbacks of the usual incremental projection methods. Two different parameters are related to the VPP methods: the augme...

Angot, Philippe Cheaytou, Rima

Recently, a new family of splitting methods, the so-called vector penalty-projection methods (VPP) were introduced by Angot et al. [2, 3] to compute the solution of unsteady incompressible fluid flows and to overcome most of the drawbacks of the usual incremental projection methods. Two different parameters are related to the VPP methods: the augme...

Nussle, Thomas Thibaudeau, Pascal Nicolis, Stam

In this paper we propose a Hamiltonian framework for the dynamics of magnetic moments, in interaction with an elastic medium, that can take into account the dynamics in phase space of the variables that describe the magnetic moments in a consistent way. While such a description involves describing the magnetic moments as bilinears of anticommuting ...

Nussle, Thomas Thibaudeau, Pascal Nicolis, Stam

In this paper we propose a Hamiltonian framework for the dynamics of magnetic moments, in interaction with an elastic medium, that can take into account the dynamics in phase space of the variables that describe the magnetic moments in a consistent way. While such a description involves describing the magnetic moments as bilinears of anticommuting ...

Elsawy, Mahmoud Lanteri, Stéphane Duvigneau, Régis Ni, Peinan Brière, Gauthier Genevet, Patrice

In this work, we exploit two advanced optimization techniques based on statistical learning and evolutionary strategies together with a fullwave high order Discontinuous Galerkin Time-Domain (DGTD) solver in order to optimize 3D gradient metasurfaces with different shapes. Unlike what is usually provided in the literature, first we introduce rigoro...

Stoecklin, Thierry Denis-Alpizar, Otoniel Clergerie, Alexandre Halvick, Philippe Faure, Alexandre SCRIBANO, Yohann

We present a new method taking explicitly into account the coupling between rotation and bending of a non-linear triatomic molecule colliding with an atom. This approach based on a rigid-bender treatment of the triatomic molecule was originally developed for the case of triatomic molecule linear at equilibrium. It is here extended to the case of a ...

Stoecklin, Thierry Denis-Alpizar, Otoniel Clergerie, Alexandre Halvick, Philippe Faure, Alexandre SCRIBANO, Yohann

We present a new method taking explicitly into account the coupling between rotation and bending of a non-linear triatomic molecule colliding with an atom. This approach based on a rigid-bender treatment of the triatomic molecule was originally developed for the case of triatomic molecule linear at equilibrium. It is here extended to the case of a ...

SCRIBANO, Yohann Lauvergnat, David Dupuy, Lucien

I present the recent results obtained for high dimensional eigenvalue problems involving large amplitude motions as ones meet in molecular spectroscopy and reaction dynmics

SCRIBANO, Yohann Lauvergnat, David Dupuy, Lucien

I present the recent results obtained for high dimensional eigenvalue problems involving large amplitude motions as ones meet in molecular spectroscopy and reaction dynmics