Single molecular switches are basic device elements in organic electronics. The pentacene analogue anthradithiophene (ADT) shows a fully reversible binary switching between different adsorption conformations on a metallic surface accompanied by a charge tr ...
The goal of this paper is to derive a structure preserving integrator for geometrically exact beam dynamics, by using a Lie group variational integrator. Both spatial and temporal discretization are implemented in a geometry preserving manner. The resultin ...
We consider the numerical solution of second order Partial Differential Equations (PDEs) on lower dimensional manifolds, specifically on surfaces in three dimensional spaces. For the spatial approximation, we consider Isogeometric Analysis which facilitate ...
Many applied problems, like transport processes in porous media or ferromagnetism in composite materials, can be modeled by partial differential equations (PDEs) with heterogeneous coefficients that rapidly vary at small scales. To capture the effective be ...
This dissertation develops geometric variational models for different inverse problems in imaging that are ill-posed, designing at the same time efficient numerical algorithms to compute their solutions. Variational methods solve inverse problems by the fo ...
This thesis introduces original formalisms to achieve an accurate description of dispersion interactions within the framework of density functional theory. The presented research focuses on two specific objectives related to density functional approximatio ...
This article proposes a numerical model for microfluidic two-phase flows in flat channels, also called Hele-Shaw cells. The initially three-dimensional problem is simplified to two-dimensions by depth averaging in the thin direction. The 2D partial differe ...
