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We propose a novel finite-difference time-domain (FDTD) scheme for the solution of the Maxwell's equations in which linear dispersive effects are present. The method uses high-order accurate approximations in space and time for the…

Numerical Analysis · Mathematics 2017-06-15 Michael J. Jenkinson , Jeffrey W. Banks

The finite-difference time-domain (FDTD) method is a flexible and powerful technique for rigorously solving Maxwell's equations. However, three-dimensional optical nonlinearity in current commercial and research FDTD softwares requires…

Optics · Physics 2017-12-27 Charles Varin , Rhys Emms , Graeme Bart , Thomas Fennel , Thomas Brabec

A formulation for the efficient calculation of the electromagnetic retarded potential generated by time-dependent electron density in the context of real-time time dependent density functional theory (RT-TDDFT) is presented. The electron…

Chemical Physics · Physics 2025-11-19 Matan Shapira , Vitaliy Lomakin , Amir Boag , Amir Natan

A Finite-Difference Time-Domain (FDTD) scheme with Perfectly Matched Layers (PMLs) is considered for solving the time-dependent Schr\"{o}dinger equation, and simulate the ionization of an electron initially bound to a one-dimensional…

Mesoscale and Nanoscale Physics · Physics 2020-04-02 Høgni C. Kamban , Sigurd S. Christensen , Thomas Søndergaard , Thomas G. Pedersen

Among several techniques available for solving Computational Electromagnetics (CEM) problems, the Finite Difference Time Domain (FDTD) method is one of the best suited approaches when a parallelized hardware platform is used. In this paper…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-05-03 A V Choudhari , N A Pande , M R Gupta

In this work, we propose to extend an approach to calculate at any order $(n)$, the functional derivative of the diffracted field with respect to the permittivity-contrast function. These derivatives obtained for different orders are used…

Classical Physics · Physics 2018-03-02 Slimane Arhab , Dimitrios Anagnostou , Maminirina Joelson

There exist many applications where it is necessary to approximate numerically derivatives of a function which is given by a computer procedure. In particular, all the fields of optimization have a special interest in such a kind of…

Numerical Analysis · Mathematics 2012-03-15 Yaroslav D. Sergeyev

Gradient Boosted Decision Trees (GBDTs) are dominant machine learning algorithms for modeling discrete or tabular data. Unlike neural networks with millions of trainable parameters, GBDTs optimize loss function in an additive manner and…

Machine Learning · Computer Science 2022-11-22 Jean Pachebat , Sergei Ivanov

We derive analytical shape derivative formulas of the system matrix representing electric field integral equation discretized with Raviart-Thomas basis functions. The arising integrals are easy to compute with similar methods as the entries…

Numerical Analysis · Mathematics 2012-06-12 Juhani Kataja , Jukka I. Toivanen

Differential Dynamic Programming (DDP) is an efficient trajectory optimization algorithm relying on second-order approximations of a system's dynamics and cost function, and has recently been applied to optimize systems with time-invariant…

Optimization and Control · Mathematics 2022-04-11 Alex Oshin , Matthew D. Houghton , Michael J. Acheson , Irene M. Gregory , Evangelos A. Theodorou

This contribution proposes a new formulation to efficiently compute directional derivatives of order one to fourth. The formulation is based on automatic differentiation implemented with dual numbers. Directional derivatives are particular…

Numerical Analysis · Mathematics 2023-06-14 R. Peón-Escalante , K. B. Cantún-Avila , O. Carvente , A. Espinosa-Romero , F. Peñuñuri

Markov decision models (MDM) used in practical applications are most often less complex than the underlying `true' MDM. The reduction of model complexity is performed for several reasons. However, it is obviously of interest to know what…

Optimization and Control · Mathematics 2019-09-18 Patrick Kern , Axel Simroth , Henryk Zähle

This paper is concerned with the efficient evaluation of higher-order derivatives of functions $f$ that are composed of matrix operations. I.e., we want to compute the $D$-th derivative tensor $\nabla^D f(X) \in \mathbb R^{N^D}$, where…

Data Structures and Algorithms · Computer Science 2016-09-08 Sebastian F. Walter

We present a novel approach for high-order accurate numerical differentiation on unstructured meshes of quadrilateral elements. To differentiate a given function, an auxiliary function with greater smoothness properties is defined which…

Numerical Analysis · Mathematics 2022-05-11 Yulong Pan , Per-Olof Persson

We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we…

Computational Physics · Physics 2015-12-23 Swarnava Ghosh , Phanish Suryanarayana

In this article, a numerical scheme is introduced for solving the fractional partial differential equation (FPDE) arising from electromagnetic waves in dielectric media (EMWDM) by using an efficient class of finite difference methods. The…

Numerical Analysis · Mathematics 2022-05-02 Vijay Kumar Patel , Dhirendra Bahuguna

We present a finite-difference method for the topology optimization of permanent magnets that is based on the FFT accelerated computation of the stray-field. The presented method employs the density approach for topology optimization and…

Computational Physics · Physics 2017-10-11 Claas Abert , Christian Huber , Florian Bruckner , Christoph Vogler , Gregor Wautischer , Dieter Suess

In the present work, we investigate the computational efficiency afforded by higher-order finite-element discretization of the saddle-point formulation of orbital-free density functional theory. We first investigate the robustness of viable…

Computational Physics · Physics 2015-05-30 Phani Motamarri , Mrinal Iyer , Jaroslaw Knap , Vikram Gavini

Rigorous computer simulations of propagating electromagnetic fields have become an important tool for optical metrology and design of nanostructured optical components. A vectorial finite element method (FEM) is a good choice for an…

Optics · Physics 2009-05-28 L. Zschiedrich , S. Burger , A. Schädle , F. Schmidt

We introduce a new approximate solution technique for first-order Markov decision processes (FOMDPs). Representing the value function linearly w.r.t. a set of first-order basis functions, we compute suitable weights by casting the…

Artificial Intelligence · Computer Science 2012-07-09 Scott Sanner , Craig Boutilier