Laplace transformIn mathematics, the 'Laplace transform, named after its discoverer Pierre-Simon Laplace (ləˈplɑ:s), is an integral transform that converts a function of a real variable (usually , in the time domain) to a function of a complex variable (in the complex frequency domain, also known as s-domain', or s-plane). The transform has many applications in science and engineering because it is a tool for solving differential equations. In particular, it transforms ordinary differential equations into algebraic equations and convolution into multiplication.
Heaviside step functionThe Heaviside step function, or the unit step function, usually denoted by H or θ (but sometimes u, 1 or ), is a step function named after Oliver Heaviside, the value of which is zero for negative arguments and one for positive arguments. It is an example of the general class of step functions, all of which can be represented as linear combinations of translations of this one. The function was originally developed in operational calculus for the solution of differential equations, where it represents a signal that switches on at a specified time and stays switched on indefinitely.
Partial differential equationIn mathematics, a partial differential equation (PDE) is an equation which computes a function between various partial derivatives of a multivariable function. The function is often thought of as an "unknown" to be solved for, similar to how x is thought of as an unknown number to be solved for in an algebraic equation like x2 − 3x + 2 = 0. However, it is usually impossible to write down explicit formulas for solutions of partial differential equations.
Hyperbolic partial differential equationIn mathematics, a hyperbolic partial differential equation of order is a partial differential equation (PDE) that, roughly speaking, has a well-posed initial value problem for the first derivatives. More precisely, the Cauchy problem can be locally solved for arbitrary initial data along any non-characteristic hypersurface. Many of the equations of mechanics are hyperbolic, and so the study of hyperbolic equations is of substantial contemporary interest. The model hyperbolic equation is the wave equation.
Step functionIn mathematics, a function on the real numbers is called a step function if it can be written as a finite linear combination of indicator functions of intervals. Informally speaking, a step function is a piecewise constant function having only finitely many pieces. A function is called a step function if it can be written as for all real numbers where , are real numbers, are intervals, and is the indicator function of : In this definition, the intervals can be assumed to have the following two properties: The intervals are pairwise disjoint: for The union of the intervals is the entire real line: Indeed, if that is not the case to start with, a different set of intervals can be picked for which these assumptions hold.
Sign functionIn mathematics, the sign function or signum function (from signum, Latin for "sign") is a function that returns the sign of a real number. In mathematical notation the sign function is often represented as . The signum function of a real number is a piecewise function which is defined as follows: Any real number can be expressed as the product of its absolute value and its sign function: It follows that whenever is not equal to 0 we have Similarly, for any real number , We can also ascertain that: The signum function is the derivative of the absolute value function, up to (but not including) the indeterminacy at zero.
Differential equationIn mathematics, a differential equation is an equation that relates one or more unknown functions and their derivatives. In applications, the functions generally represent physical quantities, the derivatives represent their rates of change, and the differential equation defines a relationship between the two. Such relations are common; therefore, differential equations play a prominent role in many disciplines including engineering, physics, economics, and biology.
Elliptic partial differential equationSecond-order linear partial differential equations (PDEs) are classified as either elliptic, hyperbolic, or parabolic. Any second-order linear PDE in two variables can be written in the form where A, B, C, D, E, F, and G are functions of x and y and where , and similarly for . A PDE written in this form is elliptic if with this naming convention inspired by the equation for a planar ellipse.
Ramp functionThe ramp function is a unary real function, whose graph is shaped like a ramp. It can be expressed by numerous definitions, for example "0 for negative inputs, output equals input for non-negative inputs". The term "ramp" can also be used for other functions obtained by scaling and shifting, and the function in this article is the unit ramp function (slope 1, starting at 0). In mathematics, the ramp function is also known as the positive part.
Ordinary differential equationIn mathematics, an ordinary differential equation (ODE) is a differential equation (DE) dependent on only a single independent variable. As with other DE, its unknown(s) consists of one (or more) function(s) and involves the derivatives of those functions. The term "ordinary" is used in contrast with partial differential equations which may be with respect to one independent variable. A linear differential equation is a differential equation that is defined by a linear polynomial in the unknown function and its derivatives, that is an equation of the form where a_0(x), .
Stochastic partial differential equationStochastic partial differential equations (SPDEs) generalize partial differential equations via random force terms and coefficients, in the same way ordinary stochastic differential equations generalize ordinary differential equations. They have relevance to quantum field theory, statistical mechanics, and spatial modeling. One of the most studied SPDEs is the stochastic heat equation, which may formally be written as where is the Laplacian and denotes space-time white noise.
Numerical methods for partial differential equationsNumerical methods for partial differential equations is the branch of numerical analysis that studies the numerical solution of partial differential equations (PDEs). In principle, specialized methods for hyperbolic, parabolic or elliptic partial differential equations exist. Finite difference method In this method, functions are represented by their values at certain grid points and derivatives are approximated through differences in these values.
Oliver HeavisideOliver Heaviside FRS (ˈhɛvisaɪd; 18 May 1850 – 3 February 1925) was an English self-taught mathematician and physicist who invented a new technique for solving differential equations (equivalent to the Laplace transform), independently developed vector calculus, and rewrote Maxwell's equations in the form commonly used today. He significantly shaped the way Maxwell's equations are understood and applied in the decades following Maxwell's death.
Molecular dynamicsMolecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.
Operational calculusOperational calculus, also known as operational analysis, is a technique by which problems in analysis, in particular differential equations, are transformed into algebraic problems, usually the problem of solving a polynomial equation. The idea of representing the processes of calculus, differentiation and integration, as operators has a long history that goes back to Gottfried Wilhelm Leibniz. The mathematician Louis François Antoine Arbogast was one of the first to manipulate these symbols independently of the function to which they were applied.
Integral transformIn mathematics, an integral transform maps a function from its original function space into another function space via integration, where some of the properties of the original function might be more easily characterized and manipulated than in the original function space. The transformed function can generally be mapped back to the original function space using the inverse transform. An integral transform is any transform of the following form: The input of this transform is a function , and the output is another function .
Z-transformIn mathematics and signal processing, the Z-transform converts a discrete-time signal, which is a sequence of real or complex numbers, into a complex frequency-domain (z-domain or z-plane) representation. It can be considered as a discrete-time equivalent of the Laplace transform (s-domain). This similarity is explored in the theory of time-scale calculus. Whereas the continuous-time Fourier transform is evaluated on the Laplace s-domain's imaginary line, the discrete-time Fourier transform is evaluated over the unit circle of the z-domain.
Shift operatorIn mathematics, and in particular functional analysis, the shift operator, also known as the translation operator, is an operator that takes a function x ↦ f(x) to its translation x ↦ f(x + a). In time series analysis, the shift operator is called the lag operator. Shift operators are examples of linear operators, important for their simplicity and natural occurrence. The shift operator action on functions of a real variable plays an important role in harmonic analysis, for example, it appears in the definitions of almost periodic functions, positive-definite functions, derivatives, and convolution.
Laplace's equationIn mathematics and physics, Laplace's equation is a second-order partial differential equation named after Pierre-Simon Laplace, who first studied its properties. This is often written as or where is the Laplace operator, is the divergence operator (also symbolized "div"), is the gradient operator (also symbolized "grad"), and is a twice-differentiable real-valued function. The Laplace operator therefore maps a scalar function to another scalar function.
Molecular modellingMolecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies. The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system.
