Water modelIn computational chemistry, a water model is used to simulate and thermodynamically calculate water clusters, liquid water, and aqueous solutions with explicit solvent. The models are determined from quantum mechanics, molecular mechanics, experimental results, and these combinations. To imitate a specific nature of molecules, many types of models have been developed. In general, these can be classified by the following three points; (i) the number of interaction points called site, (ii) whether the model is rigid or flexible, (iii) whether the model includes polarization effects.
Local-density approximationLocal-density approximations (LDA) are a class of approximations to the exchange–correlation (XC) energy functional in density functional theory (DFT) that depend solely upon the value of the electronic density at each point in space (and not, for example, derivatives of the density or the Kohn–Sham orbitals). Many approaches can yield local approximations to the XC energy. However, overwhelmingly successful local approximations are those that have been derived from the homogeneous electron gas (HEG) model.
Hybrid electric vehicleA hybrid electric vehicle (HEV) is a type of hybrid vehicle that combines a conventional internal combustion engine (ICE) system with an electric propulsion system (hybrid vehicle drivetrain). The presence of the electric powertrain is intended to achieve either better fuel economy than a conventional vehicle or better performance. There is a variety of HEV types and the degree to which each function as an electric vehicle (EV) also varies.
Crystallographic defectA crystallographic defect is an interruption of the regular patterns of arrangement of atoms or molecules in crystalline solids. The positions and orientations of particles, which are repeating at fixed distances determined by the unit cell parameters in crystals, exhibit a periodic crystal structure, but this is usually imperfect. Several types of defects are often characterized: point defects, line defects, planar defects, bulk defects. Topological homotopy establishes a mathematical method of characterization.
Laser coolingLaser cooling includes a number of techniques in which atoms, molecules, and small mechanical systems are cooled, often approaching temperatures near absolute zero. Laser cooling techniques rely on the fact that when an object (usually an atom) absorbs and re-emits a photon (a particle of light) its momentum changes. For an ensemble of particles, their thermodynamic temperature is proportional to the variance in their velocity. That is, more homogeneous velocities among particles corresponds to a lower temperature.
Magneto-optical trapIn condensed matter physics, a magneto-optical trap (MOT) is an apparatus which uses laser cooling and a spatially-varying magnetic field to create a trap which can produce samples of cold, neutral atoms. Temperatures achieved in a MOT can be as low as several microkelvin, depending on the atomic species, which is two or three times below the photon recoil limit. However, for atoms with an unresolved hyperfine structure, such as , the temperature achieved in a MOT will be higher than the Doppler cooling limit.
AtomAn atom is a particle that consists of a nucleus of protons and neutrons surrounded by a cloud of electrons. The atom is the basic particle of the chemical elements, and the chemical elements are distinguished from each other by the number of protons that are in their atoms. For example, any atom that contains 11 protons is sodium, and any atom that contains 29 protons is copper. The number of neutrons defines the isotope of the element. Atoms are extremely small, typically around 100 picometers across.
Protein structureProtein structure is the three-dimensional arrangement of atoms in an amino acid-chain molecule. Proteins are polymers - specifically polypeptides - formed from sequences of amino acids, which are the monomers of the polymer. A single amino acid monomer may also be called a residue, which indicates a repeating unit of a polymer. Proteins form by amino acids undergoing condensation reactions, in which the amino acids lose one water molecule per reaction in order to attach to one another with a peptide bond.
Ultracold atomIn condensed matter physics, an ultracold atom is an atom with a temperature near absolute zero. At such temperatures, an atom's quantum-mechanical properties become important. To reach such low temperatures, a combination of several techniques typically has to be used. First, atoms are trapped and pre-cooled via laser cooling in a magneto-optical trap. To reach the lowest possible temperature, further cooling is performed using evaporative cooling in a magnetic or optical trap.
Exotic atomAn exotic atom is an otherwise normal atom in which one or more sub-atomic particles have been replaced by other particles of the same charge. For example, electrons may be replaced by other negatively charged particles such as muons (muonic atoms) or pions (pionic atoms). Because these substitute particles are usually unstable, exotic atoms typically have very short lifetimes and no exotic atom observed so far can persist under normal conditions.
