Chebyshev polynomialsThe Chebyshev polynomials are two sequences of polynomials related to the cosine and sine functions, notated as and . They can be defined in several equivalent ways, one of which starts with trigonometric functions: The Chebyshev polynomials of the first kind are defined by Similarly, the Chebyshev polynomials of the second kind are defined by That these expressions define polynomials in may not be obvious at first sight, but follows by rewriting and using de Moivre's formula or by using the angle sum formulas for and repeatedly.
Transformation matrixIn linear algebra, linear transformations can be represented by matrices. If is a linear transformation mapping to and is a column vector with entries, then for some matrix , called the transformation matrix of . Note that has rows and columns, whereas the transformation is from to . There are alternative expressions of transformation matrices involving row vectors that are preferred by some authors. Matrices allow arbitrary linear transformations to be displayed in a consistent format, suitable for computation.
Fourier transformIn physics and mathematics, the Fourier transform (FT) is a transform that converts a function into a form that describes the frequencies present in the original function. The output of the transform is a complex-valued function of frequency. The term Fourier transform refers to both this complex-valued function and the mathematical operation. When a distinction needs to be made the Fourier transform is sometimes called the frequency domain representation of the original function.
Gegenbauer polynomialsIn mathematics, Gegenbauer polynomials or ultraspherical polynomials C(x) are orthogonal polynomials on the interval [−1,1] with respect to the weight function (1 − x2)α–1/2. They generalize Legendre polynomials and Chebyshev polynomials, and are special cases of Jacobi polynomials. They are named after Leopold Gegenbauer. File:Plot of the Gegenbauer polynomial C n^(m)(x) with n=10 and m=1 in the complex plane from -2-2i to 2+2i with colors created with Mathematica 13.1 function ComplexPlot3D.
Message Passing InterfaceMessage Passing Interface (MPI) is a standardized and portable message-passing standard designed to function on parallel computing architectures. The MPI standard defines the syntax and semantics of library routines that are useful to a wide range of users writing portable message-passing programs in C, C++, and Fortran. There are several open-source MPI implementations, which fostered the development of a parallel software industry, and encouraged development of portable and scalable large-scale parallel applications.
Group representationIn the mathematical field of representation theory, group representations describe abstract groups in terms of bijective linear transformations of a vector space to itself (i.e. vector space automorphisms); in particular, they can be used to represent group elements as invertible matrices so that the group operation can be represented by matrix multiplication. In chemistry, a group representation can relate mathematical group elements to symmetric rotations and reflections of molecules.
Transformation (function)In mathematics, a transformation is a function f, usually with some geometrical underpinning, that maps a set X to itself, i.e. f: X → X. Examples include linear transformations of vector spaces and geometric transformations, which include projective transformations, affine transformations, and specific affine transformations, such as rotations, reflections and translations.
Parallel computingParallel computing is a type of computation in which many calculations or processes are carried out simultaneously. Large problems can often be divided into smaller ones, which can then be solved at the same time. There are several different forms of parallel computing: bit-level, instruction-level, data, and task parallelism. Parallelism has long been employed in high-performance computing, but has gained broader interest due to the physical constraints preventing frequency scaling.
Computational complexity theoryIn theoretical computer science and mathematics, computational complexity theory focuses on classifying computational problems according to their resource usage, and relating these classes to each other. A computational problem is a task solved by a computer. A computation problem is solvable by mechanical application of mathematical steps, such as an algorithm. A problem is regarded as inherently difficult if its solution requires significant resources, whatever the algorithm used.
Fourier seriesA Fourier series (ˈfʊrieɪ,_-iər) is an expansion of a periodic function into a sum of trigonometric functions. The Fourier series is an example of a trigonometric series, but not all trigonometric series are Fourier series. By expressing a function as a sum of sines and cosines, many problems involving the function become easier to analyze because trigonometric functions are well understood. For example, Fourier series were first used by Joseph Fourier to find solutions to the heat equation.
Classical orthogonal polynomialsIn mathematics, the classical orthogonal polynomials are the most widely used orthogonal polynomials: the Hermite polynomials, Laguerre polynomials, Jacobi polynomials (including as a special case the Gegenbauer polynomials, Chebyshev polynomials, and Legendre polynomials). They have many important applications in such areas as mathematical physics (in particular, the theory of random matrices), approximation theory, numerical analysis, and many others.
Geometric transformationIn mathematics, a geometric transformation is any bijection of a set to itself (or to another such set) with some salient geometrical underpinning. More specifically, it is a function whose domain and range are sets of points — most often both or both — such that the function is bijective so that its inverse exists. The study of geometry may be approached by the study of these transformations. Geometric transformations can be classified by the dimension of their operand sets (thus distinguishing between, say, planar transformations and spatial transformations).
Computational chemistryComputational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
Computational complexityIn computer science, the computational complexity or simply complexity of an algorithm is the amount of resources required to run it. Particular focus is given to computation time (generally measured by the number of needed elementary operations) and memory storage requirements. The complexity of a problem is the complexity of the best algorithms that allow solving the problem. The study of the complexity of explicitly given algorithms is called analysis of algorithms, while the study of the complexity of problems is called computational complexity theory.
Computational scienceComputational science, also known as scientific computing, technical computing or scientific computation (SC), is a division of science that uses advanced computing capabilities to understand and solve complex physical problems. This includes Algorithms (numerical and non-numerical): mathematical models, computational models, and computer simulations developed to solve sciences (e.
Representation theoryRepresentation theory is a branch of mathematics that studies abstract algebraic structures by representing their elements as linear transformations of vector spaces, and studies modules over these abstract algebraic structures. In essence, a representation makes an abstract algebraic object more concrete by describing its elements by matrices and their algebraic operations (for example, matrix addition, matrix multiplication).
Irreducible representationIn mathematics, specifically in the representation theory of groups and algebras, an irreducible representation or irrep of an algebraic structure is a nonzero representation that has no proper nontrivial subrepresentation , with closed under the action of . Every finite-dimensional unitary representation on a Hilbert space is the direct sum of irreducible representations. Irreducible representations are always indecomposable (i.e. cannot be decomposed further into a direct sum of representations), but the converse may not hold, e.
Algorithmic efficiencyIn computer science, algorithmic efficiency is a property of an algorithm which relates to the amount of computational resources used by the algorithm. An algorithm must be analyzed to determine its resource usage, and the efficiency of an algorithm can be measured based on the usage of different resources. Algorithmic efficiency can be thought of as analogous to engineering productivity for a repeating or continuous process. For maximum efficiency it is desirable to minimize resource usage.
DataIn common usage and statistics, data (USˈdætə; UKˈdeɪtə) is a collection of discrete or continuous values that convey information, describing the quantity, quality, fact, statistics, other basic units of meaning, or simply sequences of symbols that may be further interpreted formally. A datum is an individual value in a collection of data. Data is usually organized into structures such as tables that provide additional context and meaning, and which may themselves be used as data in larger structures.
Big dataBig data primarily refers to data sets that are too large or complex to be dealt with by traditional data-processing application software. Data with many entries (rows) offer greater statistical power, while data with higher complexity (more attributes or columns) may lead to a higher false discovery rate. Though used sometimes loosely partly because of a lack of formal definition, the interpretation that seems to best describe big data is the one associated with a large body of information that we could not comprehend when used only in smaller amounts.
