PhosphorescencePhosphorescence is a type of photoluminescence related to fluorescence. When exposed to light (radiation) of a shorter wavelength, a phosphorescent substance will glow, absorbing the light and reemitting it at a longer wavelength. Unlike fluorescence, a phosphorescent material does not immediately reemit the radiation it absorbs. Instead, a phosphorescent material absorbs some of the radiation energy and reemits it for a much longer time after the radiation source is removed.
Sulfuric acidSulfuric acid (American spelling and the preferred IUPAC name) or sulphuric acid (Commonwealth spelling), known in antiquity as oil of vitriol, is a mineral acid composed of the elements sulfur, oxygen, and hydrogen, with the molecular formula . It is a colorless, odorless, and viscous liquid that is miscible with water. Pure sulfuric acid does not occur naturally due to its strong affinity to water vapor; it is hygroscopic and readily absorbs water vapor from the air.
Superstring theorySuperstring theory is an attempt to explain all of the particles and fundamental forces of nature in one theory by modeling them as vibrations of tiny supersymmetric strings. 'Superstring theory' is a shorthand for supersymmetric string theory because unlike bosonic string theory, it is the version of string theory that accounts for both fermions and bosons and incorporates supersymmetry to model gravity. Since the second superstring revolution, the five superstring theories (Type I, Type IIA, Type IIB, HO and HE) are regarded as different limits of a single theory tentatively called M-theory.
Ising modelThe Ising model (ˈiːzɪŋ) (or Lenz-Ising model or Ising-Lenz model), named after the physicists Ernst Ising and Wilhelm Lenz, is a mathematical model of ferromagnetism in statistical mechanics. The model consists of discrete variables that represent magnetic dipole moments of atomic "spins" that can be in one of two states (+1 or −1). The spins are arranged in a graph, usually a lattice (where the local structure repeats periodically in all directions), allowing each spin to interact with its neighbors.
LiquidA liquid is a nearly incompressible fluid that conforms to the shape of its container but retains a nearly constant volume independent of pressure. It is one of the four fundamental states of matter (the others being solid, gas, and plasma), and is the only state with a definite volume but no fixed shape. The density of a liquid is usually close to that of a solid, and much higher than that of a gas. Therefore, liquid and solid are both termed condensed matter.
Sorting algorithmIn computer science, a sorting algorithm is an algorithm that puts elements of a list into an order. The most frequently used orders are numerical order and lexicographical order, and either ascending or descending. Efficient sorting is important for optimizing the efficiency of other algorithms (such as search and merge algorithms) that require input data to be in sorted lists. Sorting is also often useful for canonicalizing data and for producing human-readable output.
Shor's algorithmShor's algorithm is a quantum algorithm for finding the prime factors of an integer. It was developed in 1994 by the American mathematician Peter Shor. It is one of the few known quantum algorithms with compelling potential applications and strong evidence of superpolynomial speedup compared to best known classical (that is, non-quantum) algorithms. On the other hand, factoring numbers of practical significance requires far more qubits than available in the near future.
Transition state theoryIn chemistry, transition state theory (TST) explains the reaction rates of elementary chemical reactions. The theory assumes a special type of chemical equilibrium (quasi-equilibrium) between reactants and activated transition state complexes. TST is used primarily to understand qualitatively how chemical reactions take place.
Diagonal matrixIn linear algebra, a diagonal matrix is a matrix in which the entries outside the main diagonal are all zero; the term usually refers to square matrices. Elements of the main diagonal can either be zero or nonzero. An example of a 2×2 diagonal matrix is , while an example of a 3×3 diagonal matrix is. An identity matrix of any size, or any multiple of it (a scalar matrix), is a diagonal matrix. A diagonal matrix is sometimes called a scaling matrix, since matrix multiplication with it results in changing scale (size).
Matrix decompositionIn the mathematical discipline of linear algebra, a matrix decomposition or matrix factorization is a factorization of a matrix into a product of matrices. There are many different matrix decompositions; each finds use among a particular class of problems. In numerical analysis, different decompositions are used to implement efficient matrix algorithms. For instance, when solving a system of linear equations , the matrix A can be decomposed via the LU decomposition.
Matrix multiplicationIn mathematics, particularly in linear algebra, matrix multiplication is a binary operation that produces a matrix from two matrices. For matrix multiplication, the number of columns in the first matrix must be equal to the number of rows in the second matrix. The resulting matrix, known as the matrix product, has the number of rows of the first and the number of columns of the second matrix. The product of matrices A and B is denoted as AB.
NWChemNWChem is an ab initio computational chemistry software package which includes quantum chemical and molecular dynamics functionality. It was designed to run on high-performance parallel supercomputers as well as conventional workstation clusters. It aims to be scalable both in its ability to treat large problems efficiently, and in its usage of available parallel computing resources. NWChem has been developed by the Molecular Sciences Software group of the Theory, Modeling & Simulation program of the Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory (PNNL).
