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.
Antenna (radio)In radio engineering, an antenna (American English) or aerial (British English) is the interface between radio waves propagating through space and electric currents moving in metal conductors, used with a transmitter or receiver. In transmission, a radio transmitter supplies an electric current to the antenna's terminals, and the antenna radiates the energy from the current as electromagnetic waves (radio waves). In reception, an antenna intercepts some of the power of a radio wave in order to produce an electric current at its terminals, that is applied to a receiver to be amplified.
Pseudo-Riemannian manifoldIn differential geometry, a pseudo-Riemannian manifold, also called a semi-Riemannian manifold, is a differentiable manifold with a metric tensor that is everywhere nondegenerate. This is a generalization of a Riemannian manifold in which the requirement of positive-definiteness is relaxed. Every tangent space of a pseudo-Riemannian manifold is a pseudo-Euclidean vector space. A special case used in general relativity is a four-dimensional Lorentzian manifold for modeling spacetime, where tangent vectors can be classified as timelike, null, and spacelike.
WaveIn physics, mathematics, engineering, and related fields, a wave is a propagating dynamic disturbance (change from equilibrium) of one or more quantities. Waves can be periodic, in which case those quantities oscillate repeatedly about an equilibrium (resting) value at some frequency. When the entire waveform moves in one direction, it is said to be a traveling wave; by contrast, a pair of superimposed periodic waves traveling in opposite directions makes a standing wave.
Differentiable manifoldIn mathematics, a differentiable manifold (also differential manifold) is a type of manifold that is locally similar enough to a vector space to allow one to apply calculus. Any manifold can be described by a collection of charts (atlas). One may then apply ideas from calculus while working within the individual charts, since each chart lies within a vector space to which the usual rules of calculus apply. If the charts are suitably compatible (namely, the transition from one chart to another is differentiable), then computations done in one chart are valid in any other differentiable chart.
Triboelectric effectThe triboelectric effect (also known as triboelectricity, triboelectric charging, triboelectrification, or tribocharging) describes electric charge transfer between two objects when they contact or slide against each other. It can occur with different materials, such as the sole of a shoe on a carpet, or between two pieces of the same material. It occurs with differing amounts of charge transfer (tribocharge) for all solid materials and all contacts and sliding.
Periodic tableThe periodic table, also known as the periodic table of the elements, arranges the chemical elements into rows ("periods") and columns ("groups"). It is an organizing icon of chemistry and is widely used in physics and other sciences. It is a depiction of the periodic law, which says that when the elements are arranged in order of their atomic numbers an approximate recurrence of their properties is evident. The table is divided into four roughly rectangular areas called blocks.
Abalone (molecular mechanics)Abalone is a general purpose molecular dynamics and molecular graphics program for simulations of bio-molecules in a periodic boundary conditions in explicit (flexible SPC water model) or in implicit water models. Mainly designed to simulate the protein folding and DNA-ligand complexes in AMBER force field. 3D molecular graphics Automatic Force Field generator for bioelements: H, C, N, O Building and editing chemical structures Library of building blocks Force fields: Assisted Model Building with Energy Re
Numerical stabilityIn the mathematical subfield of numerical analysis, numerical stability is a generally desirable property of numerical algorithms. The precise definition of stability depends on the context. One is numerical linear algebra and the other is algorithms for solving ordinary and partial differential equations by discrete approximation. In numerical linear algebra, the principal concern is instabilities caused by proximity to singularities of various kinds, such as very small or nearly colliding eigenvalues.
Non-covalent interactionIn chemistry, a non-covalent interaction differs from a covalent bond in that it does not involve the sharing of electrons, but rather involves more dispersed variations of electromagnetic interactions between molecules or within a molecule. The chemical energy released in the formation of non-covalent interactions is typically on the order of 1–5 kcal/mol (1000–5000 calories per 6.02 molecules). Non-covalent interactions can be classified into different categories, such as electrostatic, π-effects, van der Waals forces, and hydrophobic effects.
