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.
SimulationA simulation is the imitation of the operation of a real-world process or system over time. Simulations require the use of models; the model represents the key characteristics or behaviors of the selected system or process, whereas the simulation represents the evolution of the model over time. Often, computers are used to execute the simulation. Simulation is used in many contexts, such as simulation of technology for performance tuning or optimizing, safety engineering, testing, training, education, and video games.
Computer simulationComputer simulation is the process of mathematical modelling, performed on a computer, which is designed to predict the behaviour of, or the outcome of, a real-world or physical system. The reliability of some mathematical models can be determined by comparing their results to the real-world outcomes they aim to predict. Computer simulations have become a useful tool for the mathematical modeling of many natural systems in physics (computational physics), astrophysics, climatology, chemistry, biology and manufacturing, as well as human systems in economics, psychology, social science, health care and engineering.
Parabolic trajectoryIn astrodynamics or celestial mechanics a parabolic trajectory is a Kepler orbit with the eccentricity equal to 1 and is an unbound orbit that is exactly on the border between elliptical and hyperbolic. When moving away from the source it is called an escape orbit, otherwise a capture orbit. It is also sometimes referred to as a C3 = 0 orbit (see Characteristic energy). Under standard assumptions a body traveling along an escape orbit will coast along a parabolic trajectory to infinity, with velocity relative to the central body tending to zero, and therefore will never return.
Business simulationBusiness simulation or corporate simulation is simulation used for business training, education or analysis. It can be scenario-based or numeric-based. Most business simulations are used for business acumen training and development. Learning objectives include: strategic thinking, decision making, problem solving, financial analysis, market analysis, operations, teamwork and leadership. The business gaming community seems lately to have adopted the term business simulation game instead of just gaming or just simulation.
Hyperbolic trajectoryIn astrodynamics or celestial mechanics, a hyperbolic trajectory or hyperbolic orbit is the trajectory of any object around a central body with more than enough speed to escape the central object's gravitational pull. The name derives from the fact that according to Newtonian theory such an orbit has the shape of a hyperbola. In more technical terms this can be expressed by the condition that the orbital eccentricity is greater than one.
Functional analysisFunctional analysis is a branch of mathematical analysis, the core of which is formed by the study of vector spaces endowed with some kind of limit-related structure (for example, inner product, norm, or topology) and the linear functions defined on these spaces and suitably respecting these structures. The historical roots of functional analysis lie in the study of spaces of functions and the formulation of properties of transformations of functions such as the Fourier transform as transformations defining, for example, continuous or unitary operators between function spaces.
Training simulationIn business, training simulation is a virtual medium through which various types of skills can be acquired. Training simulations can be used in a variety of genres; however they are most commonly used in corporate situations to improve business awareness and management skills. They are also common in academic environments as an integrated part of a business or management course. The word simulation implies an imitation of a real-life process, usually via a computer or other technological device, in order to provide a lifelike experience.
Minkowski functionalIn mathematics, in the field of functional analysis, a Minkowski functional (after Hermann Minkowski) or gauge function is a function that recovers a notion of distance on a linear space. If is a subset of a real or complex vector space then the or of is defined to be the function valued in the extended real numbers, defined by where the infimum of the empty set is defined to be positive infinity (which is a real number so that would then be real-valued).
Linear formIn mathematics, a linear form (also known as a linear functional, a one-form, or a covector) is a linear map from a vector space to its field of scalars (often, the real numbers or the complex numbers). If V is a vector space over a field k, the set of all linear functionals from V to k is itself a vector space over k with addition and scalar multiplication defined pointwise. This space is called the dual space of V, or sometimes the algebraic dual space, when a topological dual space is also considered.
Functional (mathematics)In mathematics, a functional (as a noun) is a certain type of function. The exact definition of the term varies depending on the subfield (and sometimes even the author). In linear algebra, it is synonymous with linear forms, which are linear mappings from a vector space into its field of scalars (that is, they are elements of the dual space ) In functional analysis and related fields, it refers more generally to a mapping from a space into the field of real or complex numbers.
Quantum chemistryQuantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of molecules, materials, and solutions at the atomic level. These calculations include systematically applied approximations intended to make calculations computationally feasible while still capturing as much information about important contributions to the computed wave functions as well as to observable properties such as structures, spectra, and thermodynamic properties.
Computational chemistryComputational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
LiquidA liquid is a nearly incompressible fluid that conforms to the shape of its container but retains a nearly constant volume independent of pressure. It is one of the four fundamental states of matter (the others being solid, gas, and plasma), and is the only state with a definite volume but no fixed shape. The density of a liquid is usually close to that of a solid, and much higher than that of a gas. Therefore, liquid and solid are both termed condensed matter.
United StatesThe United States of America (U.S.A. or USA), commonly known as the United States (U.S. or US) or America, is a country primarily located in North America and consisting of 50 states, a federal district, five major unincorporated territories, nine Minor Outlying Islands, and 326 Indian reservations. It is the world's third-largest country by both land and total area. It shares land borders with Canada to its north and with Mexico to its south and has maritime borders with the Bahamas, Cuba, Russia, and other nations.
Radial trajectoryIn astrodynamics and celestial mechanics a radial trajectory is a Kepler orbit with zero angular momentum. Two objects in a radial trajectory move directly towards or away from each other in a straight line. There are three types of radial trajectories (orbits). Radial elliptic trajectory: an orbit corresponding to the part of a degenerate ellipse from the moment the bodies touch each other and move away from each other until they touch each other again. The relative speed of the two objects is less than the escape velocity.
Los AngelesLos Angeles (USlɔːs_ˈændʒələs ; Los Ángeles los ˈaŋxeles, The Angels), often referred to by its initials L.A., and officially the City of Los Angeles, is the most populous city in the state of California. With roughly 3.9 million residents within the city limits , Los Angeles is the second-most populous city in the United States, behind only New York City, and is the commercial, financial, and cultural center of the Southern California region. Los Angeles has a Mediterranean climate, an ethnically and culturally diverse population, and a sprawling metropolitan area.
CaliforniaCalifornia is a state in the Western United States, located along the Pacific Coast. With nearly 39.2 million residents across a total area of approximately , it is the most populous U.S. state and the third-largest by area. It is also the most populated subnational entity in North America and the 34th most populous in the world. The Greater Los Angeles and San Francisco Bay areas are the nation's second and fifth most populous urban regions, respectively, with the former having more than 18.
Meniscus (liquid)In physics (particularly fluid statics), the meniscus (plural: menisci, ) is the curve in the upper surface of a liquid close to the surface of the container or another object, produced by surface tension. A concave meniscus occurs when the attraction between the particles of the liquid and the container (adhesion) is more than half the attraction of the particles of the liquid to each other (cohesion), causing the liquid to climb the walls of the container (see surface tension#Causes). This occurs between water and glass.
Liquid crystalLiquid crystal (LC) is a state of matter whose properties are between those of conventional liquids and those of solid crystals. For example, a liquid crystal may flow like a liquid, but its molecules may be oriented in a crystal-like way. There are many types of LC phases, which can be distinguished by their optical properties (such as textures). The contrasting textures arise due to molecules within one area of material ("domain") being oriented in the same direction but different areas having different orientations.
