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Computational chemistry at the atomic level has largely branched into two major fields, one based on quantum mechanics and the other on molecular mechanics using classical force fields. Because of high computational costs, quantum…

Chemical Physics · Physics 2018-10-23 Pedro E M Lopes

The hierarchical interpolative factorization (HIF) offers an efficient way for solving or preconditioning elliptic partial differential equations. By exploiting locality and low-rank properties of the operators, the HIF achieves…

Numerical Analysis · Mathematics 2017-06-12 Yingzhou Li , Lexing Ying

Over the last two decades, several fast, robust, and high-order accurate methods have been developed for solving the Poisson equation in complicated geometry using potential theory. In this approach, rather than discretizing the partial…

Numerical Analysis · Mathematics 2024-09-19 Fredrik Fryklund , Leslie Greengard , Shidong Jiang , Samuel Potter

We present a family of fast and accurate Dijkstra-like solvers for the eikonal equation and factored eikonal equation which compute solutions on a regular grid by solving local variational minimization problems. Our methods converge…

Numerical Analysis · Mathematics 2019-09-06 Samuel F. Potter , Maria K. Cameron

We propose a method to reduce the computational effort to solve a partial differential equation on a given domain. The main idea is to split the domain of interest in two subdomains, and to use different approximation methods in each of the…

Classical Physics · Physics 2007-12-06 Marcelo Buffoni , Haysam Telib , Angelo Iollo

Many numerical techniques for the description of quantum systems that are coupled to a continuous bath require the discretization of the latter. To this end, a wealth of methods has been developed in the literature, which we classify as (i)…

Quantum Physics · Physics 2015-10-22 Ines de Vega , Ulrich Schollwöck , F. Alexander Wolf

We consider inverse problems for non-linear hyperbolic and elliptic equations and give an introduction to the method based on the multiple linearization, or on the construction of artificial sources, to solve these problems. The method is…

Analysis of PDEs · Mathematics 2025-03-18 Matti Lassas

A study is conducted to evaluate four derivative estimation methods when solving a large sparse nonlinear programming problem that arises from the approximation of an optimal control problem using a direct collocation method. In particular,…

Optimization and Control · Mathematics 2020-05-29 Yunus M. Agamawi , Anil V. Rao

We propose an approach to factorize the time-evolution operator of a quantum system through a (finite) sequence of elementary operations that are time-ordered. Our proposal borrows from previous approaches based on Lie algebra techniques…

Quantum Physics · Physics 2021-02-16 David Edward Bruschi

This paper presents a novel multi-scale method for elliptic partial differential equations with arbitrarily rough coefficients. In the spirit of numerical homogenization, the method constructs problem-adapted ansatz spaces with uniform…

Numerical Analysis · Mathematics 2024-08-05 Philip Freese , Moritz Hauck , Tim Keil , Daniel Peterseim

In this paper we use different techniques from the fractional and pseudo-operators calculus to solve partial differential equations involving operators with non integer exponents. We apply the method to equations resembling generalizations…

Mathematical Physics · Physics 2011-06-27 D. Babusci , G. Dattoli , M. Quattromini

A new method of numerical solution for partial differential equations is proposed. The method is based on a fast matrix multiplication algorithm. Two-dimensional Poison equation is used for comparison of the proposed method with…

Numerical Analysis · Mathematics 2016-06-02 Pavel Dourbal , Mikhail Pekker

The Lindblad master equation for an arbitrary quadratic system of n fermions is solved explicitly in terms of diagonalization of a 4n x 4n matrix, provided that all Lindblad bath operators are linear in the fermionic variables. The method…

Quantum Physics · Physics 2009-11-13 Tomaz Prosen

We study a nonlinear evolutionary partial differential equation that can be viewed as a generalization of the heat equation where the temperature gradient is a~priori bounded but the heat flux provides merely \mbox{$L^1$-coercivity}.…

Analysis of PDEs · Mathematics 2021-03-01 Miroslav Bulíček , David Hruška , Josef Málek

This work introduces and analyzes a finite element scheme for evolution problems involving fractional-in-time and in-space differentiation operators up to order two. The left-sided fractional-order derivative in time we consider is employed…

Numerical Analysis · Mathematics 2018-04-17 Gabriel Acosta , Francisco M. Bersetche , Juan Pablo Borthagaray

Quadratization refers to a transformation of an arbitrary system of polynomial ordinary differential equations to a system with at most quadratic right-hand side. Such a transformation unveils new variables and model structures that…

Systems and Control · Electrical Eng. & Systems 2026-03-11 Yubo Cai , Gleb Pogudin

In this paper, we introduce and develop the method of diagonalization of functions $f:\mathbb{N}\longrightarrow \mathbb{R}$. We apply this method to show that the equations of the form $\Gamma_r(n)+k=m^2$ has a finite number of solutions…

General Mathematics · Mathematics 2026-03-10 Theophilus Agama

We present here the solution of the problem on linearization of fourth-order equations by means of point transformations. We show that all fourth-order equations that are linearizable by point transformations are contained in the class of…

Classical Analysis and ODEs · Mathematics 2007-10-26 Nail H. Ibragimov , Sergey V. Meleshko , Supaporn Suksern

This study focuses on the numerical discretization methods for the continuous-time discounted linear-quadratic optimal control problem (LQ-OCP) with time delays. By assuming piecewise constant inputs, we formulate the discrete system…

Optimization and Control · Mathematics 2024-07-29 Zhanhao Zhang , Steen Hørsholt , John Bagterp Jørgensen

Despite the advances in the development of numerical methods analytical approaches still play the key role on the way towards a deeper understanding of many-particle systems. In this regards, diagonalization schemes for Hamiltonians…

Strongly Correlated Electrons · Physics 2020-10-15 Steffen Sykora , Arnd Hübsch , Klaus W. Becker