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.
Batch processingComputerized batch processing is a method of running software programs called jobs in batches automatically. While users are required to submit the jobs, no other interaction by the user is required to process the batch. Batches may automatically be run at scheduled times as well as being run contingent on the availability of computer resources. The term "batch processing" originates in the traditional classification of methods of production as job production (one-off production), batch production (production of a "batch" of multiple items at once, one stage at a time), and flow production (mass production, all stages in process at once).
Random number generationRandom number generation is a process by which, often by means of a random number generator (RNG), a sequence of numbers or symbols that cannot be reasonably predicted better than by random chance is generated. This means that the particular outcome sequence will contain some patterns detectable in hindsight but unpredictable to foresight. True random number generators can be hardware random-number generators (HRNGs), wherein each generation is a function of the current value of a physical environment's attribute that is constantly changing in a manner that is practically impossible to model.
Root-finding algorithmsIn mathematics and computing, a root-finding algorithm is an algorithm for finding zeros, also called "roots", of continuous functions. A zero of a function f, from the real numbers to real numbers or from the complex numbers to the complex numbers, is a number x such that f(x) = 0. As, generally, the zeros of a function cannot be computed exactly nor expressed in closed form, root-finding algorithms provide approximations to zeros, expressed either as floating-point numbers or as small isolating intervals, or disks for complex roots (an interval or disk output being equivalent to an approximate output together with an error bound).
Chromosome (genetic algorithm)In genetic algorithms (GA), or more general, evolutionary algorithms (EA), a chromosome (also sometimes called a genotype) is a set of parameters which define a proposed solution of the problem that the evolutionary algorithm is trying to solve. The set of all solutions, also called individuals according to the biological model, is known as the population. The genome of an individual consists of one, more rarely of several, chromosomes and corresponds to the genetic representation of the task to be solved.
ScheduleA schedule or a timetable, as a basic time-management tool, consists of a list of times at which possible tasks, events, or actions are intended to take place, or of a sequence of events in the chronological order in which such things are intended to take place. The process of creating a schedule — deciding how to order these tasks and how to commit resources between the variety of possible tasks — is called scheduling, and a person responsible for making a particular schedule may be called a scheduler.
Statistical randomnessA numeric sequence is said to be statistically random when it contains no recognizable patterns or regularities; sequences such as the results of an ideal dice roll or the digits of π exhibit statistical randomness. Statistical randomness does not necessarily imply "true" randomness, i.e., objective unpredictability. Pseudorandomness is sufficient for many uses, such as statistics, hence the name statistical randomness. Global randomness and local randomness are different.
Hardware random number generatorIn computing, a hardware random number generator (HRNG), true random number generator (TRNG) or non-deterministic random bit generator (NRBG) is a device that generates random numbers from a physical process capable of producing entropy (in other words, the device always has access to a physical entropy source), rather than by means of an algorithm. Such devices are often based on microscopic phenomena that generate low-level, statistically random "noise" signals, such as thermal noise, the photoelectric effect, involving a beam splitter, and other quantum phenomena.
Scheduling (computing)In computing, scheduling is the action of assigning resources to perform tasks. The resources may be processors, network links or expansion cards. The tasks may be threads, processes or data flows. The scheduling activity is carried out by a process called scheduler. Schedulers are often designed so as to keep all computer resources busy (as in load balancing), allow multiple users to share system resources effectively, or to achieve a target quality-of-service.
Random number tableRandom number tables have been used in statistics for tasks such as selected random samples. This was much more effective than manually selecting the random samples (with dice, cards, etc.). Nowadays, tables of random numbers have been replaced by computational random number generators. If carefully prepared, the filtering and testing processes remove any noticeable bias or asymmetry from the hardware-generated original numbers so that such tables provide the most "reliable" random numbers available to the casual user.
