arXiv subjects

Carmen Campos

Publications and source records attributed to Carmen Campos.

6 recordsLinked to original sources

arXiv2024

Physically Agnostic Quasinormal Mode Expansion in Time Dispersive Structures:from Mechanical Vibrations to Nanophotonic Resonances

Resonances, also known as quasi normal modes (QNM) in the non-Hermitian case, play an ubiquitous role in all domains of physics ruled by wave phenomena, notably in continuum mechanics, acoustics, electrodynamics, and quantum theory. In this paper, we present a QNM expansion for dispersive systems, recently applied to photonics but based on sixty year old techniques in mechanics. The resulting numerical algorithm appears to be physically agnostic, that is independent of the considered physical problem and can therefore be implemented as a mere toolbox in a nonlinear eigenvalue computation library.

physics.optics↗

arXiv2023

Thick-restarted joint Lanczos bidiagonalization for the GSVD

The computation of the partial generalized singular value decomposition (GSVD) of large-scale matrix pairs can be approached by means of iterative methods based on expanding subspaces, particularly Krylov subspaces. We consider the joint Lanczos bidiagonalization method, and analyze the feasibility of adapting the thick restart technique that is being used successfully in the context of other linear algebra problems. Numerical experiments illustrate the effectiveness of the proposed method. We also compare the new method with an alternative solution via equivalent eigenvalue problems, considering accuracy as well as computational performance. The analysis is done using a parallel implementation in the SLEPc library.

math.NA↗

arXiv2021

NEP: a module for the parallel solution of nonlinear eigenvalue problems in SLEPc

SLEPc is a parallel library for the solution of various types of large-scale eigenvalue problems. In the last years we have been developing a module within SLEPc, called NEP, that is intended for solving nonlinear eigenvalue problems. These problems can be defined by means of a matrix-valued function that depends nonlinearly on a single scalar parameter. We do not consider the particular case of polynomial eigenvalue problems (which are implemented in a different module in SLEPc) and focus here on rational eigenvalue problems and other general nonlinear eigenproblems involving square roots or any other nonlinear function. The paper discusses how the NEP module has been designed to fit the needs of applications and provides a description of the available solvers, including some implementation details such as parallelization. Several test problems coming from real applications are used to evaluate the performance and reliability of the solvers.

cs.MS↗

arXiv2020

ELSI -- An Open Infrastructure for Electronic Structure Solvers

Routine applications of electronic structure theory to molecules and periodic systems need to compute the electron density from given Hamiltonian and, in case of non-orthogonal basis sets, overlap matrices. System sizes can range from few to thousands or, in some examples, millions of atoms. Different discretization schemes (basis sets) and different system geometries (finite non-periodic vs. infinite periodic boundary conditions) yield matrices with different structures. The ELectronic Structure Infrastructure (ELSI) project provides an open-source software interface to facilitate the implementation and optimal use of high-performance solver libraries covering cubic scaling eigensolvers, linear scaling density-matrix-based algorithms, and other reduced scaling methods in between. In this paper, we present recent improvements and developments inside ELSI, mainly covering (1) new solvers connected to the interface, (2) matrix layout and communication adapted for parallel calculations of periodic and/or spin-polarized systems, (3) routines for density matrix extrapolation in geometry optimization and molecular dynamics calculations, and (4) general utilities such as parallel matrix I/O and JSON output. The ELSI interface has been integrated into four electronic structure code projects (DFTB+, DGDFT, FHI-aims, SIESTA), allowing us to rigorously benchmark the performance of the solvers on an equal footing. Based on results of a systematic set of large-scale benchmarks performed with Kohn-Sham density-functional theory and density-functional tight-binding theory, we identify factors that strongly affect the efficiency of the solvers, and propose a decision layer that assists with the solver selection process. Finally, we describe a reverse communication interface encoding matrix-free iterative solver strategies that are amenable, e.g., for use with planewave basis sets.

physics.comp-ph↗

arXiv2020

Non-linear eigenvalue problems with GetDP and SLEPc: Eigenmode computations of frequency-dispersive photonic open structures

We present a framework to solve non-linear eigenvalue problems suitable for a Finite Element discretization. The implementation is based on the open-source finite element software GetDP and the open-source library SLEPc. As template examples, we propose and compare in detail different ways to address the numerical computation of the electromagnetic modes of frequency-dispersive objects. This is a non-linear eigenvalue problem involving a non-Hermitian operator. A classical finite element formulation is derived for five different solutions and solved using algorithms adapted to the large size of the resulting discrete problem. The proposed solutions are applied to the computation of the dispersion relation of a diffraction grating made of a Drude material. The important numerical consequences linked to the presence of sharp corners and sign-changing coefficients are carefully examined. For each method, the convergence of the eigenvalues with respect to the mesh refinement and the shape function order, as well as computation time and memory requirements are investigated. The open-source template model used to obtain the numerical results is provided. Details of the implementation of polynomial and rational eigenvalue problems in GetDP are given in appendix.

physics.comp-ph↗

arXiv2019

Computation of scattering resonances in absorptive and dispersive media with applications to metal-dielectric nano-structures

In this paper we consider scattering resonance computations in optics when the resonators consist of frequency dependent and lossy materials, such as metals at optical frequencies. The proposed computational approach combines a novel $hp$-FEM strategy, based on dispersion analysis for complex frequencies, with a fast implementation of the nonlinear eigenvalue solver NLEIGS. Numerical computations illustrate that the pre-asymptotic phase is significantly reduced compared to standard uniform $h$ and $p$ strategies. Moreover, the efficiency grows with the refractive index contrast, which makes the new strategy highly attractive for metal-dielectric structures. The $hp$-refinement strategy together with the efficient parallel code result in highly accurate approximations and short runtimes on multi processor platforms.

math.NA↗