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.
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.
Lithium-ion batteryA lithium-ion or Li-ion battery is a type of rechargeable battery which uses the reversible reduction of lithium ions to store energy. The negative electrode of a conventional lithium-ion cell is typically graphite, a form of carbon. This negative electrode is sometimes called the anode as it acts as an anode during discharge. The positive electrode is typically a metal oxide; the positive electrode is sometimes called the cathode as it acts as a cathode during discharge.
Star clusterStar clusters are large groups of stars held together by self-gravitation. Two main types of star clusters can be distinguished: globular clusters are tight groups of ten thousand to millions of old stars which are gravitationally bound, while open clusters are more loosely clustered groups of stars, generally containing fewer than a few hundred members, and are often very young.
Fast ion conductorIn materials science, fast ion conductors are solid conductors with highly mobile ions. These materials are important in the area of solid state ionics, and are also known as solid electrolytes and superionic conductors. These materials are useful in batteries and various sensors. Fast ion conductors are used primarily in solid oxide fuel cells. As solid electrolytes they allow the movement of ions without the need for a liquid or soft membrane separating the electrodes.
Molecular design softwareMolecular design software is notable software for molecular modeling, that provides special support for developing molecular models de novo. In contrast to the usual molecular modeling programs, such as for molecular dynamics and quantum chemistry, such software directly supports the aspects related to constructing molecular models, including: Molecular graphics interactive molecular drawing and conformational editing building polymeric molecules, crystals, and solvated systems partial charges development g
Open clusterAn open cluster is a type of star cluster made of tens to a few thousand stars that were formed from the same giant molecular cloud and have roughly the same age. More than 1,100 open clusters have been discovered within the Milky Way galaxy, and many more are thought to exist. They are loosely bound by mutual gravitational attraction and become disrupted by close encounters with other clusters and clouds of gas as they orbit the Galactic Center.
Virgo ClusterThe Virgo Cluster is a large cluster of galaxies whose center is 53.8 ± 0.3 Mly (16.5 ± 0.1 Mpc) away in the constellation Virgo. Comprising approximately 1,300 (and possibly up to 2,000) member galaxies, the cluster forms the heart of the larger Virgo Supercluster, of which the Local Group (containing our Milky Way galaxy) is a member. The Local Group actually experiences the mass of the Virgo Supercluster as the Virgocentric flow. It is estimated that the Virgo Cluster's mass is 1.
Globular clusterA globular cluster is a spheroidal conglomeration of stars. Globular clusters are bound together by gravity, with a higher concentration of stars towards their centers. They can contain anywhere from tens of thousands to many millions of member stars. Their name is derived from Latin globulus (small sphere). Globular clusters are occasionally known simply as "globulars". Although one globular cluster, Omega Centauri, was observed in antiquity and long thought to be a star, recognition of the clusters' true nature came with the advent of telescopes in the 17th century.
Prior probabilityA prior probability distribution of an uncertain quantity, often simply called the prior, is its assumed probability distribution before some evidence is taken into account. For example, the prior could be the probability distribution representing the relative proportions of voters who will vote for a particular politician in a future election. The unknown quantity may be a parameter of the model or a latent variable rather than an observable variable.
