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María López-Fernández

Publications and source records attributed to María López-Fernández.

7 recordsLinked to original sources

Numerical approximation of the Schrödinger equation with concentrated potential

We present a family of algorithms for the numerical approximation of the Schrödinger equation with potential concentrated at a finite set of points. Our methods belong to the so-called fast and oblivious convolution quadrature algorithms. These algorithms are special implementations of Lubich's Convolution Quadrature which allow, for certain applications in particular parabolic problems, to significantly reduce the computational cost and memory requirements. Recently it has been noticed that their use can be extended to some hyperbolic problems. Here we propose a new family of such efficient algorithms tailored to the features of the Green's function for Schrödinger equations. In this way, we are able to keep the computational cost and the storage requirements significantly below existing approaches. These features allow us to perform reliable numerical simulations for longer times even in cases where the solution becomes highly oscillatory or seems to develop finite time blow-up. We illustrate our new algorithm with several numerical experiments.

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Efficient high order algorithms for fractional integrals and fractional differential equations

We propose an efficient algorithm for the approximation of fractional integrals by using Runge--Kutta based convolution quadrature. The algorithm is based on a novel integral representation of the convolution weights and a special quadrature for it. The resulting method is easy to implement, allows for high order, relies on rigorous error estimates and its performance in terms of memory and computational cost is among the best to date. Several numerical results illustrate the method and we describe how to apply the new algorithm to solve fractional diffusion equations. For a class of fractional diffusion equations we give the error analysis of the full space-time discretization obtained by coupling the FEM method in space with Runge--Kutta based convolution quadrature in time.

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Fast and oblivious algorithms for dissipative and 2D wave equations

The use of time-domain boundary integral equations has proved very effective and efficient for three dimensional acoustic and electromagnetic wave equations. In even dimensions and when some dissipation is present, time-domain boundary equations contain an infinite memory tail. Due to this, computation for longer times becomes exceedingly expensive. In this paper we show how oblivious quadrature, initially designed for parabolic problems, can be used to significantly reduce both the cost and the memory requirements of computing this tail. We analyse Runge-Kutta based quadrature and conclude the paper with numerical experiments.

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Adaptive, Fast and Oblivious Convolution in Evolution Equations with Memory

To approximate convolutions which occur in evolution equations with memory terms, a variable-stepsize algorithm is presented for which advancing N steps requires only O(N log(N)) operations and O(log(N)) active memory, in place of O(N^2) operations and O(N) memory for a direct implementation. A basic feature of the fast algorithm is the reduction, via contour integral representations, to differential equations which are solved numerically with adaptive step sizes. Rather than the kernel itself, its Laplace transform is used in the algorithm. The algorithm is illustrated on three examples: a blow-up example originating from a Schrödinger equation with concentrated nonlinearity, chemical reactions with inhibited diffusion, and viscoelasticity with a fractional order constitutive law.

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Fast Runge-Kutta approximation of inhomogeneous parabolic equations

The result after $N$ steps of an implicit Runge-Kutta time discretization of an inhomogeneous linear parabolic differential equation is computed, up to accuracy $ε$, by solving only $$O\Big(\log N \log \frac1ε\Big) $$ linear systems of equations. We derive, analyse, and numerically illustrate this fast algorithm.

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Fast and oblivious convolution quadrature

We give an algorithm to compute $N$ steps of a convolution quadrature approximation to a continuous temporal convolution using only $O(N \log N)$ multiplications and $O(\log N)$ active memory. The method does not require evaluations of the convolution kernel, but instead $O(\log N)$ evaluations of its Laplace transform, which is assumed sectorial. The algorithm can be used for the stable numerical solution with quasi-optimal complexity of linear and nonlinear integral and integro-differential equations of convolution type. In a numerical example we apply it to solve a subdiffusion equation with transparent boundary conditions.

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A spectral order method for inverting sectorial Laplace transforms

Laplace transforms which admit a holomorphic extension to some sector strictly containing the right half plane and exhibiting a potential behavior are considered. A spectral order, parallelizable method for their numerical inversion is proposed. The method takes into account the available information about the errors arising in the evaluations. Several numerical illustrations are provided.

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