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Rare Event Sampling
Rare event sampling is an umbrella term for a group of computer simulation methods intended to selectively sample 'special' regions of the dynamic space of systems which are unlikely to visit those special regions through brute-force simulation. A familiar example of a rare event in this context would be nucleation of a raindrop from over-saturated water vapour: although raindrops form every day, relative to the length and time scales defined by the motion of water molecules in the vapour phase, the formation of a liquid droplet is extremely rare. Due to the wide use of computer simulation across very different domains, articles on the topic arise from quite disparate sources and it is difficult to make a coherent survey of rare event sampling techniques. Contemporary methods include Transition Path Sampling (TPS), Replica Exchange Transition Interface Sampling (RETIS), Repetitive Simulation Trials After Reaching Thresholds (RESTART), Forward Flux Sampling (FFS), Generalized ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Umbrella Term
In linguistics, semantics, general semantics, and ontologies, hyponymy () is a semantic relation between a hyponym denoting a subtype and a hypernym or hyperonym (sometimes called umbrella term or blanket term) denoting a supertype. In other words, the semantic field of the hyponym is included within that of the hypernym. In simpler terms, a hyponym is in a ''type-of'' relationship with its hypernym. For example, ''pigeon'', ''crow'', ''eagle'', and ''seagull'' are all hyponyms of ''bird'', their hypernym, which itself is a hyponym of ''animal'', its hypernym. Hyponyms and hypernyms Hyponymy shows the relationship between a generic term (hypernym) and a specific instance of it (hyponym). A hyponym is a word or phrase whose semantic field is more specific than its hypernym. The semantic field of a hypernym, also known as a superordinate, is broader than that of a hyponym. An approach to the relationship between hyponyms and hypernyms is to view a hypernym as consisting of hypo ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ted Harris (mathematician)
Theodore Edward Harris (11 January 1919 – 3 November 2005) was an American mathematician known for his research on stochastic processes, including such areas as general state-space Markov chains (often now called Harris chains), the theory of branching processes and stochastic models of interacting particle systems such as the contact process. The Harris inequality in statistical physics and percolation theory is named after him. He received his Ph.D. at Princeton University in 1947 under advisor Samuel Wilks. From 1947 until 1966 he worked for the RAND Corporation, heading their mathematics department from 1959 to 1965. From 1966 until retirement in 1989 he was Professor of Mathematics and Electrical Engineering at University of Southern California. He was elected to the United States National Academy of Sciences The National Academy of Sciences (NAS) is a United States nonprofit, non-governmental organization. NAS is part of the National Academies of Sciences, Engin ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Rare Events
Rare or extreme events are events that occur with low frequency, and often refers to infrequent events that have widespread impact and which might destabilize systems (for example, stock markets, ocean wave intensity or optical fibers or society). Rare events encompass natural phenomena (major earthquakes, tsunamis, hurricanes, floods, asteroid impacts, solar flares, etc.), anthropogenic hazards (warfare and related forms of violent conflict, acts of terrorism, industrial accidents, financial and commodity market crashes, etc.), as well as phenomena for which natural and anthropogenic factors interact in complex ways (epidemic disease spread, global warming-related changes in climate and weather, etc.). Overview Rare or extreme events are discrete occurrences of infrequently observed events. Despite being statistically improbable, such events are plausible insofar as historical instances of the event (or a similar event) have been documented. Scholarly and popular analyses of rare ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Replica Exchange
Parallel tempering in physics and statistics, is a computer simulation method typically used to find the lowest free energy state of a system of many interacting particles at low temperature. That is, the one expected to be observed in reality. It addresses the problem that at high temperature one may have a stable state different from low temperature, whereas simulations at low temperature may become "stuck" in a metastable state. It does this by using the fact that the high temperature simulation may visit states typical of both stable and metastable low temperature states. More specifically, parallel tempering (also known as replica exchange MCMC sampling), is a simulation method aimed at improving the dynamic properties of Monte Carlo method simulations of physical systems, and of Markov chain Monte Carlo (MCMC) sampling methods more generally. The replica exchange method was originally devised by Swendsen and Wang then extended by Geyer and later developed, among othe ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Transition State Theory
In chemistry, transition state theory (TST) explains the reaction rates of elementary chemical reactions. The theory assumes a special type of chemical equilibrium (quasi-equilibrium) between reactants and activated transition state complexes. TST is used primarily to understand qualitatively how chemical reactions take place. TST has been less successful in its original goal of calculating absolute reaction rate constants because the calculation of absolute reaction rates requires precise knowledge of potential energy surfaces, but it has been successful in calculating the standard enthalpy of activation (Δ''H''‡, also written Δ‡''H''ɵ), the standard entropy of activation (Δ''S''‡ or Δ‡''S''ɵ), and the standard Gibbs energy of activation (Δ''G''‡ or Δ‡''G''ɵ) for a particular reaction if its rate constant has been experimentally determined. (The ‡ notation refers to the value of interest ''at the transition state''; Δ''H''‡ is the difference between the ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Degrees Of Freedom
Degrees of freedom (often abbreviated df or DOF) refers to the number of independent variables or parameters of a thermodynamic system. In various scientific fields, the word "freedom" is used to describe the limits to which physical movement or other physical processes are possible. This relates to the philosophical concept to the extent that people may be considered to have as much freedom as they are physically able to exercise. Applications Statistics In statistics, degrees of freedom refers to the number of variables in a statistic calculation that can vary. It can be calculated by subtracting the number of estimated parameters from the total number of values in the sample. For example, a sample variance calculation based on n samples will have n-1 degrees of freedom, because sample variance is calculated using the sample mean as an estimate of the actual mean. Mathematics In mathematics, this notion is formalized as the dimension of a manifold or an algebraic variety. ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Energy Landscape
An energy landscape is a mapping of possible states of a system. The concept is frequently used in physics, chemistry, and biochemistry, e.g. to describe all possible conformations of a molecular entity, or the spatial positions of interacting molecules in a system, or parameters and their corresponding energy levels, typically Gibbs free energy. Geometrically, the energy landscape is the graph of the energy function across the configuration space of the system. The term is also used more generally in geometric perspectives to mathematical optimization, when the domain of the loss function is the parameter space of some system. Applications The term is useful when examining protein folding; while a protein can theoretically exist in a nearly infinite number of conformations along its energy landscape, in reality proteins fold (or "relax") into secondary and tertiary structures that possess the lowest possible free energy. The key concept in the energy landscape approach to pro ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Dissipative
In thermodynamics, dissipation is the result of an irreversible process that takes place in homogeneous thermodynamic systems. In a dissipative process, energy (internal, bulk flow kinetic, or system potential) transforms from an initial form to a final form, where the capacity of the final form to do thermodynamic work is less than that of the initial form. For example, heat transfer is dissipative because it is a transfer of internal energy from a hotter body to a colder one. Following the second law of thermodynamics, the entropy varies with temperature (reduces the capacity of the combination of the two bodies to do work), but never decreases in an isolated system. These processes produce entropy at a certain rate. The entropy production rate times ambient temperature gives the dissipated power. Important examples of irreversible processes are: heat flow through a thermal resistance, fluid flow through a flow resistance, diffusion (mixing), chemical reactions, and electric cu ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Thermodynamic Equilibrium
Thermodynamic equilibrium is an axiomatic concept of thermodynamics. It is an internal state of a single thermodynamic system, or a relation between several thermodynamic systems connected by more or less permeable or impermeable walls. In thermodynamic equilibrium, there are no net macroscopic flows of matter nor of energy within a system or between systems. In a system that is in its own state of internal thermodynamic equilibrium, no macroscopic change occurs. Systems in mutual thermodynamic equilibrium are simultaneously in mutual thermal, mechanical, chemical, and radiative equilibria. Systems can be in one kind of mutual equilibrium, while not in others. In thermodynamic equilibrium, all kinds of equilibrium hold at once and indefinitely, until disturbed by a thermodynamic operation. In a macroscopic equilibrium, perfectly or almost perfectly balanced microscopic exchanges occur; this is the physical explanation of the notion of macroscopic equilibrium. A thermodynamic sys ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Stanislaw Ulam
Stanisław Marcin Ulam (; 13 April 1909 – 13 May 1984) was a Polish-American scientist in the fields of mathematics and nuclear physics. He participated in the Manhattan Project, originated the Teller–Ulam design of thermonuclear weapons, discovered the concept of the cellular automaton, invented the Monte Carlo method of computation, and suggested nuclear pulse propulsion. In pure and applied mathematics, he proved some theorems and proposed several conjectures. Born into a wealthy Polish Jewish family, Ulam studied mathematics at the Lwów Polytechnic Institute, where he earned his PhD in 1933 under the supervision of Kazimierz Kuratowski and Włodzimierz Stożek. In 1935, John von Neumann, whom Ulam had met in Warsaw, invited him to come to the Institute for Advanced Study in Princeton, New Jersey, for a few months. From 1936 to 1939, he spent summers in Poland and academic years at Harvard University in Cambridge, Massachusetts, where he worked to establish import ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
John Von Neumann
John von Neumann (; hu, Neumann János Lajos, ; December 28, 1903 – February 8, 1957) was a Hungarian-American mathematician, physicist, computer scientist, engineer and polymath. He was regarded as having perhaps the widest coverage of any mathematician of his time and was said to have been "the last representative of the great mathematicians who were equally at home in both pure and applied mathematics". He integrated pure and applied sciences. Von Neumann made major contributions to many fields, including mathematics (foundations of mathematics, measure theory, functional analysis, ergodic theory, group theory, lattice theory, representation theory, operator algebras, matrix theory, geometry, and numerical analysis), physics (quantum mechanics, hydrodynamics, ballistics, nuclear physics and quantum statistical mechanics), economics ( game theory and general equilibrium theory), computing ( Von Neumann architecture, linear programming, numerical meteo ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
