Interatomic potentialInteratomic potentials are mathematical functions to calculate the potential energy of a system of atoms with given positions in space. Interatomic potentials are widely used as the physical basis of molecular mechanics and molecular dynamics simulations in computational chemistry, computational physics and computational materials science to explain and predict materials properties.
Chemical bondA chemical bond is a lasting attraction between atoms or ions that enables the formation of molecules, crystals, and other structures. The bond may result from the electrostatic force between oppositely charged ions as in ionic bonds, or through the sharing of electrons as in covalent bonds. The strength of chemical bonds varies considerably; there are "strong bonds" or "primary bonds" such as covalent, ionic and metallic bonds, and "weak bonds" or "secondary bonds" such as dipole–dipole interactions, the London dispersion force, and hydrogen bonding.
Lazy evaluationIn programming language theory, lazy evaluation, or call-by-need, is an evaluation strategy which delays the evaluation of an expression until its value is needed (non-strict evaluation) and which also avoids repeated evaluations (by the use of sharing). The benefits of lazy evaluation include: The ability to define control flow (structures) as abstractions instead of primitives. The ability to define potentially infinite data structures. This allows for more straightforward implementation of some algorithms.
Force field (chemistry)In the context of chemistry and molecular modelling, a force field is a computational method that is used to estimate the forces between atoms within molecules and also between molecules. More precisely, the force field refers to the functional form and parameter sets used to calculate the potential energy of a system of atoms or coarse-grained particles in molecular mechanics, molecular dynamics, or Monte Carlo simulations. The parameters for a chosen energy function may be derived from experiments in physics and chemistry, calculations in quantum mechanics, or both.
Reactivity (chemistry)In chemistry, reactivity is the impulse for which a chemical substance undergoes a chemical reaction, either by itself or with other materials, with an overall release of energy. Reactivity refers to: the chemical reactions of a single substance, the chemical reactions of two or more substances that interact with each other, the systematic study of sets of reactions of these two kinds, methodology that applies to the study of reactivity of chemicals of all kinds, experimental methods that are used to observe these processes theories to predict and to account for these processes.
Evaluation strategyIn a programming language, an evaluation strategy is a set of rules for evaluating expressions. The term is often used to refer to the more specific notion of a parameter-passing strategy that defines the kind of value that is passed to the function for each parameter (the binding strategy) and whether to evaluate the parameters of a function call, and if so in what order (the evaluation order). The notion of reduction strategy is distinct, although some authors conflate the two terms and the definition of each term is not widely agreed upon.
ConstructionConstruction is a general term meaning the art and science to form objects, systems, or organizations, and comes from Latin constructio (from com- "together" and struere "to pile up") and Old French construction. To construct is the verb: the act of building, and the noun is construction: how something is built, the nature of its structure. In its most widely used context, construction covers the processes involved in delivering buildings, infrastructure, industrial facilities, and associated activities through to the end of their life.
Evaluation functionAn evaluation function, also known as a heuristic evaluation function or static evaluation function, is a function used by game-playing computer programs to estimate the value or goodness of a position (usually at a leaf or terminal node) in a game tree. Most of the time, the value is either a real number or a quantized integer, often in nths of the value of a playing piece such as a stone in go or a pawn in chess, where n may be tenths, hundredths or other convenient fraction, but sometimes, the value is an array of three values in the unit interval, representing the win, draw, and loss percentages of the position.
Action potentialAn action potential occurs when the membrane potential of a specific cell rapidly rises and falls. This depolarization then causes adjacent locations to similarly depolarize. Action potentials occur in several types of animal cells, called excitable cells, which include neurons, muscle cells, and in some plant cells. Certain endocrine cells such as pancreatic beta cells, and certain cells of the anterior pituitary gland are also excitable cells.
Construction managementConstruction management (CM) is a professional service that uses specialized, project management techniques and software to oversee the planning, design, construction and closeout of a project. The purpose of construction management is to control the quality of a project's scope, time / delivery and cost—sometimes referred to as a project management triangle or "triple constraints." CM is compatible with all project delivery systems, including design-bid-build, design-build, CM At-Risk and Public Private Partnerships.
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.
Strong interactionIn nuclear physics and particle physics, the strong interaction, which is also often called the strong force or strong nuclear force, is a fundamental interaction that confines quarks into proton, neutron, and other hadron particles. The strong interaction also binds neutrons and protons to create atomic nuclei, where it is called the nuclear force. Most of the mass of a common proton or neutron is the result of the strong interaction energy; the individual quarks provide only about 1% of the mass of a proton.
Construction engineeringConstruction engineering, also known as construction operations, is a professional subdiscipline of civil engineering that deals with the designing, planning, construction, and operations management of infrastructure such as roadways, tunnels, bridges, airports, railroads, facilities, buildings, dams, utilities and other projects. Construction engineers learn some of the design aspects similar to civil engineers as well as project management aspects.
Computer chessComputer chess includes both hardware (dedicated computers) and software capable of playing chess. Computer chess provides opportunities for players to practice even in the absence of human opponents, and also provides opportunities for analysis, entertainment and training. Computer chess applications that play at the level of a chess master or higher are available on hardware from supercomputers to smart phones. Standalone chess-playing machines are also available.
Outline of constructionThe following outline is provided as an overview of and topical guide to construction: Construction – process of building or assembling infrastructure. A complex activity, large scale construction involves extensive multitasking. Normally, a job is managed by a project manager, and supervised by a construction manager, design engineer, construction engineer or project architect. Building Planning permission Nonbuilding structures including infrastructure Building construction Home construction High-rise co
Bond orderIn chemistry, bond order is a formal measure of the multiplicity of a covalent bond between two atoms. As introduced by Linus Pauling, bond order is defined as the difference between the numbers of electron pairs in bonding and antibonding molecular orbitals. Bond order gives a rough indication of the stability of a bond. Isoelectronic species have the same bond order. The bond order itself is the number of electron pairs (covalent bonds) between two atoms.
Chemical formulaIn chemistry, a chemical formula is a way of presenting information about the chemical proportions of atoms that constitute a particular chemical compound or molecule, using chemical element symbols, numbers, and sometimes also other symbols, such as parentheses, dashes, brackets, commas and plus (+) and minus (−) signs. These are limited to a single typographic line of symbols, which may include subscripts and superscripts. A chemical formula is not a chemical name since it does not contain any words.
Game theoryGame theory is the study of mathematical models of strategic interactions among rational agents. It has applications in all fields of social science, as well as in logic, systems science and computer science. The concepts of game theory are used extensively in economics as well. The traditional methods of game theory addressed two-person zero-sum games, in which each participant's gains or losses are exactly balanced by the losses and gains of other participants.
Chemical compoundA chemical compound is a chemical substance composed of many identical molecules (or molecular entities) containing atoms from more than one chemical element held together by chemical bonds. A molecule consisting of atoms of only one element is therefore not a compound. A compound can be transformed into a different substance by a chemical reaction, which may involve interactions with other substances. In this process, bonds between atoms may be broken and/or new bonds formed.
Chemical substanceA chemical substance is a form of matter having constant chemical composition and characteristic properties. Chemical substances can be simple substances (substances consisting of a single chemical element), chemical compounds, or alloys. Chemical substances that cannot be separated into their simpler constituent elements by physical means are said to be 'pure'; this notion intended to set them apart from mixtures.
