Publication
High-order geometric integrators for the variational Gaussian wavepacket dynamics and application to vibronic spectra at finite temperature
Publications associées (52)
Meta-concrete by means of discrete element method
The basis of the discrete element method is to model masses interacting with each other through different forces and constraints. On each mass, the second law of Newton is applied to obtain a differential equation. From this equation and boundary condition ...
2019Efficient geometric integrators for nonadiabatic quantum dynamics. I. The adiabatic representation
Geometric integrators of the Schrödinger equation conserve exactly many invariants of the exact solution. Among these integrators, the split-operator algorithm is explicit and easy to implement but, unfortunately, is restricted to systems whose Hamiltonian ...
2019Avoidance of Convex and Concave Obstacles with Convergence ensured through Contraction
This paper presents a closed-form approach to obstacle avoidance for multiple moving convex and star-shaped concave obstacles. The method takes inspiration in harmonic-potential fields. It inherits the convergence properties of harmonic potentials. We prov ...
2019Load-Transfer Approach for Modeling the Cyclic Thermo-Mechanical Behaviour of Energy Piles
Energy piles are subjected to short- and long-term cyclic thermal loads due to their unique role as heat exchangers. Their response to monotonic temperature change has been investigated by various researchers from both experimental and numerical points of ...
2018Geometric Integrators for Nonadiabatic Molecular Quantum Dynamics Induced by the Interaction with the Electromagnetic Field
Understanding the elementary steps involved in a chemical reaction forms the cornerstone of physical chemistry research. One way to deepen this understanding is by studying chemical and physical processes using linear and nonlinear spectroscopic techniques ...
EPFL2017Space-dependent source determination in a time-fractional diffusion equation using a local discontinuous Galerkin method
Jan Sickmann Hesthaven, Reza Mokhtari
This paper is devoted to determining a space-dependent source term in an inverse problem of the time-fractional diffusion equation. We use a fully-discrete method based on a finite difference scheme in time and a local discontinuous Galerkin method (LDG) i ...
Springer2017Optimization based methods for highly heterogeneous multiscale problems and multiscale methods for elastic waves
Multiscale or multiphysics partial differential equations are used to model a wide range of physical systems with various applications, e.g. from material and natural science to problems in biology or engineering. When the ratio between the smallest scale ...
EPFL2017Methods of approximation influence aquatic ecosystem metabolism estimates
Aquatic ecologists have recently employed dynamic models to estimate aquatic ecosystem metabolism. All approaches involve numerically solving a differential equation describing dissolved oxygen (DO) dynamics. Although the DO differential equation can be so ...
Association for the Sciences of Limnology and Oceanography2016MATHICSE Technical Report : Multiscale methods and model order reduction for flow problems in three-scale porous media
A new multiscale method combined with model order reduction is proposed for flow problems in three-scale porous media. We derive an effective three-scale model that couples a macroscopic Darcy equation, a mesoscopic Stokes-Brinkman equation, and a microsco ...
MATHICSE2016MATHICSE Technical Report : Analysis of the internodes method for non-conforming discretizations of elliptic equations
INTERNODES is a general method to deal with non-conforming discretizations of second order partial differential equations on regions partitioned into two or several subdomains. It exploits two intergrid interpolation operators, one for transfering the Diri ...
MATHICSE2016