Related papers: A multiscale reduced basis method for Schr\"{o}din…
The semiclassically scaled time-dependent multi-particle Schr\"odinger equation describes, inter alia, quantum dynamics of nuclei in a molecule. It poses the combined computational challenges of high oscillations and high dimensions. This…
Computing many eigenpairs of the Schr{\"o}dinger operator presents a computational bottleneck in large-scale quantum simulations due to the global communication overhead of explicit orthogonalization. To address this issue, we propose a…
We target time-dependent partial differential equations (PDEs) with heterogeneous coefficients in space and time. To tackle these problems, we construct reduced basis/ multiscale ansatz functions defined in space that can be combined with…
This article is devoted to the construction of numerical methods which remain insensitive to the smallness of the semiclassical parameter for the linear Schr{\"o}dinger equation in the semiclassical limit. We specifically analyse the…
We present and analyze a multiscale method for wave propagation problems, posed on spatial networks. By introducing a coarse scale, using a finite element space interpolated onto the network, we construct a discrete multiscale space using…
Schr\"odinger equations with time-dependent potentials are of central importance in quantum physics and theoretical chemistry, where they aid in the simulation and design of systems and processes at atomic scales. Numerical approximation of…
This article is devoted to the construction of new numerical methods for the semiclassical Schr\"odinger equation. A phase-amplitude reformulation of the equation is described where the Planck constant epsilon is not a singular parameter.…
We study the homogenization of a stochastic Schr\"odinger equation with a large periodic potential in solid state physics. Denoting by $\varepsilon$ the period, the potential is scaled as $\varepsilon^{-2}$. Under a generic assumption on…
We show that a pseudospectral representation of the wavefunction using multiple spatial domains of variable size yields a highly accurate, yet efficient method to solve the time-dependent Schr\"odinger equation. The overall spatial domain…
In this paper we develop a numerical method for solving an inverse scattering problem of estimating the scattering potential in a Schr\"{o}dinger equation from frequency domain measurements based on reduced order models (ROM). The ROM is a…
We consider solutions of the time-dependent Schr\"odinger equation for a potential localised at the points of a Poisson process. We prove convergence of the phase-space distribution in the annealed Boltzmann-Grad limit to a semiclassical…
In this paper we present a novel multiscale splitting approach to solve multiscale Schroedinger equation, which have large different time-scales. The energy potential is based on highly oscillating functions, which are magnitudes faster…
We present a space-time ultra-weak discontinuous Galerkin discretization of the linear Schr\"odinger equation with variable potential. The proposed method is well-posed and quasi-optimal in mesh-dependent norms for very general discrete…
In this paper, we consider the classical wave equation with time-dependent, spatially multiscale coefficients. We propose a fully discrete computational multiscale method in the spirit of the localized orthogonal decomposition in space with…
We study the effective approximation for a nonlocal stochastic Schrodinger equation with a rapidly oscillating, periodically time-dependent potential. We use the natural diffusive scaling of heterogeneous system and study the limit…
Our aim in this work is to give some quantitative insight on the dispersive effects exhibited by solutions of a semiclassical Schr{\"o}dinger-type equation in R d. We describe quantitatively the localisation of the energy in a long-time…
We propose extensions and improvements of the statistical analysis of distributed multipoles (SADM) algorithm put forth by Chipot et al. in [6] for the derivation of distributed atomic multipoles from the quantum-mechanical electrostatic…
We develop a new approach for the Anderson localization problem. The implementation of this method yields strong numerical evidence leading to a (surprising to many) conjecture: The two dimensional discrete random Schroedinger operator with…
In this paper, we propose a dynamical low-rank (DLR) approximation framework for solving the semiclassical Schrodinger equation with uncertainties. The primary numerical challenges arise from the dual nature of the oscillations: the spatial…
We present a new numerical method for accurate computations of solutions to (linear) one dimensional Schr\"odinger equations with periodic potentials. This is a prominent model in solid state physics where we also allow for perturbations by…