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A new algorithm is introduced to integrate the equations of rotational motion. The algorithm is derived within a leapfrog framework and the quantities involved into the integration are mid-step angular momenta and on-step orientational…

Computational Physics · Physics 2007-05-23 Igor P. Omelyan

The numerical methods for differential equation solution allow obtaining a discrete field that converges towards the solution if the method is applied to the correct problem. Nevertheless, the numerical methods have the restricted class of…

Numerical Analysis · Mathematics 2023-07-03 Alexander Hvatov , Tatiana Tikhonova

If several independent algorithms for a computer-calculated quantity exist, then one can expect their results (which differ because of numerical errors) to follow approximately Gaussian distribution. The mean of this distribution,…

General Mathematics · Mathematics 2017-07-03 Andrej Liptaj

In this paper, we give a detailed account of the algorithm outlined in [1] for Feynman integral reduction and $\varepsilon$-factorised differential equations. The algorithm consists of two steps. In the first step, we use a new geometric…

In this study, we present a simulation-based numerical method for solving a class of singularly perturbed second-order differential equations that come from a simplified biologically motivated model of human gait. Important physical factors…

Numerical Analysis · Mathematics 2025-09-01 Shubhangini Gupta , Sourav Banerjee , Tamal Pramanick

We present a quantum algorithm based on repeated measurement to solve initial-value problems for nonlinear ordinary differential equations (ODEs), which may be generated from partial differential equations in plasma physics. We map a…

Quantum Physics · Physics 2025-04-30 Joseph Andress , Alexander Engel , Yuan Shi , Scott Parker

An approach is proposed to improve the efficiency of fourth-order algorithms for numerical integration of the equations of motion in molecular dynamics simulations. The approach is based on an extension of the decomposition scheme by…

Statistical Mechanics · Physics 2009-11-07 Igor Omelyan , Ihor Mryglod , Reinhard Folk

The finite element method is used to approximately solve boundary value problems for differential equations. The method discretises the parameter space and finds an approximate solution by solving a large system of linear equations. Here we…

Quantum Physics · Physics 2016-03-23 Ashley Montanaro , Sam Pallister

Simulations of chemical dynamics are a powerful means for understanding chemistry. However, classical computers struggle to simulate many chemical processes, especially non-adiabatic ones, where the Born-Oppenheimer approximation breaks…

The numerical integration of an analytical function $f(x)$ using a finite set of equidistant points can be performed by quadrature formulas like the Newton-Cotes. Unlike Gaussian quadrature formulas however, higher-order Newton-Cotes…

Numerical Analysis · Mathematics 2021-08-24 Irfan Muhammad

In this article, I present recent methods for the numerical simulation of fluid dynamics and the associated computational algorithms. The goal of this article is to explain how to model an incompressible fluid, and how to write a computer…

Computational Physics · Physics 2018-11-15 Bruno Levy

A set of algorithms is presented for efficient numerical calculation of the time evolution of classical dynamical systems. Starting with a first approximation for solving the differential equations that has a "reversible" character, we show…

Classical Physics · Physics 2017-03-22 Charles Schwartz

We study a variant of Newton's algorithm applied to under-determined systems of non-smooth equations. The notion of regularity employed in our work is based on Newton differentiability, which generalizes semi-smoothness. The classic notion…

Optimization and Control · Mathematics 2025-04-28 Titus Pinta

Polynomial approximations of functions are widely used in scientific computing. In certain applications, it is often desired to require the polynomial approximation to be non-negative (resp. non-positive), or bounded within a given range,…

Numerical Analysis · Mathematics 2024-11-12 Yuan Chen , Dongbin Xiu , Xiangxiong Zhang

Computing the determinant of a matrix with the univariate and multivariate polynomial entries arises frequently in the scientific computing and engineering fields. In this paper, an effective algorithm is presented for computing the…

Symbolic Computation · Computer Science 2015-04-14 Xiaolin Qin , Zhi Sun , Tuo Leng , Yong Feng

The purpose of this paper is to propose a semi-analytical technique convenient for numerical approximation of solutions of the initial value problem for $p$-dimensional delayed and neutral differential systems with constant, proportional…

Classical Analysis and ODEs · Mathematics 2019-01-29 Josef Rebenda , Zdeněk Šmarda

In this note we approach the classical, Newtonian, gravitational $N$-body problem by mean of a new, original numerical integration method. After a short summary of the fundamental characteristics of the problem, including a sketch of some…

Computational Physics · Physics 2020-01-08 V. Parisi , R. Capuzzo-Dolcetta

Gradient descent method, as one of the major methods in numerical optimization, is the key ingredient in many machine learning algorithms. As one of the most fundamental way to solve the optimization problems, it promises the function value…

Quantum Physics · Physics 2021-02-01 Keren Li , Shijie Wei , Feihao Zhang , Pan Gao , Zengrong Zhou , Tao Xin , Xiaoting Wang , Guilu Long

A new approach for integration of motion in many-body systems of interacting polyatomic molecules is proposed. It is based on splitting time propagation of pseudo-variables in a modified phase space, while the real translational and…

Statistical Mechanics · Physics 2009-11-13 Igor P. Omelyan

A very simple and accurate numerical method which is applicable to systems of differentio-integral equations with quite general boundary conditions has been devised. Although the basic idea of this method stems from the Keller Box method,…

Fluid Dynamics · Physics 2014-09-30 Jian-Jun Shu , Graham Wilks