Free and open-source softwareFree and open-source software (FOSS) is a term used to refer to groups of software consisting of both free software and open-source software where anyone is freely licensed to use, copy, study, and change the software in any way, and the source code is openly shared so that people are encouraged to voluntarily improve the design of the software. This is in contrast to proprietary software, where the software is under restrictive copyright licensing and the source code is usually hidden from the users.
Space–time tradeoffA space–time trade-off, also known as time–memory trade-off or the algorithmic space-time continuum in computer science is a case where an algorithm or program trades increased space usage with decreased time. Here, space refers to the data storage consumed in performing a given task (RAM, HDD, etc), and time refers to the time consumed in performing a given task (computation time or response time). The utility of a given space–time tradeoff is affected by related fixed and variable costs (of, e.g.
Ab initio quantum chemistry methodsAb initio quantum chemistry methods are computational chemistry methods based on quantum chemistry. The term ab initio was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene. The background is described by Parr. Ab initio means "from first principles" or "from the beginning", implying that the only inputs into an ab initio calculation are physical constants.
Software development processIn software engineering, a software development process is a process of planning and managing software development. It typically involves dividing software development work into smaller, parallel, or sequential steps or sub-processes to improve design and/or product management. It is also known as a software development life cycle (SDLC). The methodology may include the pre-definition of specific deliverables and artifacts that are created and completed by a project team to develop or maintain an application.
Gaussian (software)Gaussian ˈgaʊsiən is a general purpose computational chemistry software package initially released in 1970 by John Pople and his research group at Carnegie Mellon University as Gaussian 70. It has been continuously updated since then. The name originates from Pople's use of Gaussian orbitals to speed up molecular electronic structure calculations as opposed to using Slater-type orbitals, a choice made to improve performance on the limited computing capacities of then-current computer hardware for Hartree–Fock calculations.
WorkflowA workflow consists of an orchestrated and repeatable pattern of activity, enabled by the systematic organization of resources into processes that transform materials, provide services, or process information. It can be depicted as a sequence of operations, the work of a person or group, the work of an organization of staff, or one or more simple or complex mechanisms. From a more abstract or higher-level perspective, workflow may be considered a view or representation of real work.
Business models for open-source softwareCompanies whose business centers on the development of open-source software employ a variety of business models to solve the challenge of how to make money providing software that is by definition licensed free of charge. Each of these business strategies rests on the premise that users of open-source technologies are willing to purchase additional software features under proprietary licenses, or purchase other services or elements of value that complement the open-source software that is core to the business.
Multiple-criteria decision analysisMultiple-criteria decision-making (MCDM) or multiple-criteria decision analysis (MCDA) is a sub-discipline of operations research that explicitly evaluates multiple conflicting criteria in decision making (both in daily life and in settings such as business, government and medicine). Conflicting criteria are typical in evaluating options: cost or price is usually one of the main criteria, and some measure of quality is typically another criterion, easily in conflict with the cost.
Simulation hypothesisThe simulation hypothesis proposes that all of existence is a simulated reality, such as a computer simulation. This simulation could contain conscious minds that may or may not know that they live inside a simulation. This is quite different from the current, technologically achievable concept of virtual reality, which is easily distinguished from the experience of actuality. Simulated reality, by contrast, would be hard or impossible to separate from "true" reality.
High dynamic rangeHigh dynamic range (HDR) is a dynamic range higher than usual, synonyms are wide dynamic range, extended dynamic range, expanded dynamic range. The term is often used in discussing the dynamic range of various signals such as s, videos, audio or radio. It may apply to the means of recording, processing, and reproducing such signals including analog and digitized signals. The term is also the name of some of the technologies or techniques allowing to achieve high dynamic range images, videos, or audio.
CrystallinityCrystallinity refers to the degree of structural order in a solid. In a crystal, the atoms or molecules are arranged in a regular, periodic manner. The degree of crystallinity has a big influence on hardness, density, transparency and diffusion. In an ideal gas, the relative positions of the atoms or molecules are completely random. Amorphous materials, such as liquids and glasses, represent an intermediate case, having order over short distances (a few atomic or molecular spacings) but not over longer distances.
Density functional theoryDensity-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.
