Verlet integrationVerlet integration (vɛʁˈlɛ) is a numerical method used to integrate Newton's equations of motion. It is frequently used to calculate trajectories of particles in molecular dynamics simulations and computer graphics. The algorithm was first used in 1791 by Jean Baptiste Delambre and has been rediscovered many times since then, most recently by Loup Verlet in the 1960s for use in molecular dynamics. It was also used by P. H. Cowell and A. C. C.
Approximation theoryIn mathematics, approximation theory is concerned with how functions can best be approximated with simpler functions, and with quantitatively characterizing the errors introduced thereby. What is meant by best and simpler will depend on the application. A closely related topic is the approximation of functions by generalized Fourier series, that is, approximations based upon summation of a series of terms based upon orthogonal polynomials.
Nearest-neighbor interpolationNearest-neighbor interpolation (also known as proximal interpolation or, in some contexts, point sampling) is a simple method of multivariate interpolation in one or more dimensions. Interpolation is the problem of approximating the value of a function for a non-given point in some space when given the value of that function in points around (neighboring) that point. The nearest neighbor algorithm selects the value of the nearest point and does not consider the values of neighboring points at all, yielding a piecewise-constant interpolant.
Hermite interpolationIn numerical analysis, Hermite interpolation, named after Charles Hermite, is a method of polynomial interpolation, which generalizes Lagrange interpolation. Lagrange interpolation allows computing a polynomial of degree less than n that takes the same value at n given points as a given function. Instead, Hermite interpolation computes a polynomial of degree less than mn such that the polynomial and its m − 1 first derivatives have the same values at n given points as a given function and its m − 1 first derivatives.
Hermite polynomialsIn mathematics, the Hermite polynomials are a classical orthogonal polynomial sequence. The polynomials arise in: signal processing as Hermitian wavelets for wavelet transform analysis probability, such as the Edgeworth series, as well as in connection with Brownian motion; combinatorics, as an example of an Appell sequence, obeying the umbral calculus; numerical analysis as Gaussian quadrature; physics, where they give rise to the eigenstates of the quantum harmonic oscillator; and they also occur in some cases of the heat equation (when the term is present); systems theory in connection with nonlinear operations on Gaussian noise.
Spectral density estimationIn statistical signal processing, the goal of spectral density estimation (SDE) or simply spectral estimation is to estimate the spectral density (also known as the power spectral density) of a signal from a sequence of time samples of the signal. Intuitively speaking, the spectral density characterizes the frequency content of the signal. One purpose of estimating the spectral density is to detect any periodicities in the data, by observing peaks at the frequencies corresponding to these periodicities.
PolynomialIn mathematics, a polynomial is an expression consisting of indeterminates (also called variables) and coefficients, that involves only the operations of addition, subtraction, multiplication, and positive-integer powers of variables. An example of a polynomial of a single indeterminate x is x2 − 4x + 7. An example with three indeterminates is x3 + 2xyz2 − yz + 1. Polynomials appear in many areas of mathematics and science.
Bilinear interpolationIn mathematics, bilinear interpolation is a method for interpolating functions of two variables (e.g., x and y) using repeated linear interpolation. It is usually applied to functions sampled on a 2D rectilinear grid, though it can be generalized to functions defined on the vertices of (a mesh of) arbitrary convex quadrilaterals. Bilinear interpolation is performed using linear interpolation first in one direction, and then again in another direction.
Gaussian quadratureIn numerical analysis, a quadrature rule is an approximation of the definite integral of a function, usually stated as a weighted sum of function values at specified points within the domain of integration. (See numerical integration for more on quadrature rules.) An n-point Gaussian quadrature rule, named after Carl Friedrich Gauss, is a quadrature rule constructed to yield an exact result for polynomials of degree 2n − 1 or less by a suitable choice of the nodes x_i and weights w_i for i = 1, ..., n.
Generalized minimal residual methodIn mathematics, the generalized minimal residual method (GMRES) is an iterative method for the numerical solution of an indefinite nonsymmetric system of linear equations. The method approximates the solution by the vector in a Krylov subspace with minimal residual. The Arnoldi iteration is used to find this vector. The GMRES method was developed by Yousef Saad and Martin H. Schultz in 1986. It is a generalization and improvement of the MINRES method due to Paige and Saunders in 1975.
Laguerre polynomialsIn mathematics, the Laguerre polynomials, named after Edmond Laguerre (1834–1886), are solutions of Laguerre's differential equation: which is a second-order linear differential equation. This equation has nonsingular solutions only if n is a non-negative integer. Sometimes the name Laguerre polynomials is used for solutions of where n is still a non-negative integer. Then they are also named generalized Laguerre polynomials, as will be done here (alternatively associated Laguerre polynomials or, rarely, Sonine polynomials, after their inventor Nikolay Yakovlevich Sonin).
Equations of motionIn physics, equations of motion are equations that describe the behavior of a physical system in terms of its motion as a function of time. More specifically, the equations of motion describe the behavior of a physical system as a set of mathematical functions in terms of dynamic variables. These variables are usually spatial coordinates and time, but may include momentum components. The most general choice are generalized coordinates which can be any convenient variables characteristic of the physical system.
