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.
Non-Euclidean geometryIn mathematics, non-Euclidean geometry consists of two geometries based on axioms closely related to those that specify Euclidean geometry. As Euclidean geometry lies at the intersection of metric geometry and affine geometry, non-Euclidean geometry arises by either replacing the parallel postulate with an alternative, or relaxing the metric requirement. In the former case, one obtains hyperbolic geometry and elliptic geometry, the traditional non-Euclidean geometries.
GeometryGeometry (; ) is a branch of mathematics concerned with properties of space such as the distance, shape, size, and relative position of figures. Geometry is, along with arithmetic, one of the oldest branches of mathematics. A mathematician who works in the field of geometry is called a geometer. Until the 19th century, geometry was almost exclusively devoted to Euclidean geometry, which includes the notions of point, line, plane, distance, angle, surface, and curve, as fundamental concepts.
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.
Free softwareFree software or libre software or libreware is computer software distributed under terms that allow users to run the software for any purpose as well as to study, change, and distribute it and any adapted versions. Free software is a matter of liberty, not price; all users are legally free to do what they want with their copies of a free software (including profiting from them) regardless of how much is paid to obtain the program.
Differential geometryDifferential geometry is a mathematical discipline that studies the geometry of smooth shapes and smooth spaces, otherwise known as smooth manifolds. It uses the techniques of differential calculus, integral calculus, linear algebra and multilinear algebra. The field has its origins in the study of spherical geometry as far back as antiquity. It also relates to astronomy, the geodesy of the Earth, and later the study of hyperbolic geometry by Lobachevsky.
Absorption (chemistry)In chemistry, absorption is a physical or chemical phenomenon or a process in which atoms, molecules or ions enter some bulk phase – liquid or solid material. This is a different process from adsorption, since molecules undergoing absorption are taken up by the volume, not by the surface (as in the case for adsorption). A more common definition is that "Absorption is a chemical or physical phenomenon in which the molecules, atoms and ions of the substance getting absorbed enter into the bulk phase (gas, liquid or solid) of the material in which it is taken up.
Hyperbolic geometryIn mathematics, hyperbolic geometry (also called Lobachevskian geometry or Bolyai–Lobachevskian geometry) is a non-Euclidean geometry. The parallel postulate of Euclidean geometry is replaced with: For any given line R and point P not on R, in the plane containing both line R and point P there are at least two distinct lines through P that do not intersect R. (Compare the above with Playfair's axiom, the modern version of Euclid's parallel postulate.) The hyperbolic plane is a plane where every point is a saddle point.
Synthetic geometrySynthetic geometry (sometimes referred to as axiomatic geometry or even pure geometry) is geometry without the use of coordinates. It relies on the axiomatic method for proving all results from a few basic properties initially called postulate, and at present called axioms. The term "synthetic geometry" has been coined only after the 17th century, and the introduction by René Descartes of the coordinate method, which was called analytic geometry.
Software licenseA software license is a legal instrument (usually by way of contract law, with or without printed material) governing the use or redistribution of software. Under United States copyright law, all software is copyright protected, in both source code and object code forms, unless that software was developed by the United States Government, in which case it cannot be copyrighted. Authors of copyrighted software can donate their software to the public domain, in which case it is also not covered by copyright and, as a result, cannot be licensed.
