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Atomistix
Atomistix A/S was a software company developing tools for atomic scale modelling. It was headquartered in Copenhagen, Denmark, with a subsidiary for Asia Pacific in Singapore and for the Americas in California. In September 2008 Atomistix A/S went bankrupt, but in December 2008 the newly founded company QuantumWise announced that they had acquired all assets from the Atomistix estate and would continue the development and marketing of the products Atomistix ToolKit and Atomistix Virtual NanoLab. QuantumWise was then acquired by Synopsys in 2017. History The company was founded in October 2003 by Dr. Kurt Stokbro, Dr. Jeremy Taylor and Dr. Thomas Magnussen. Dr. Stokbro and Dr. Taylor are co-authors on the article introducing the electron transport method and program TranSIESTA (based on the SIESTA program for academic research. This method, and methods used in Dr. Taylor Ph.D. research, was the starting point for Atomistix first product, TranSIESTA-C. The C refers to the pr ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Atomistix ToolKit
Atomistix ToolKit (ATK) is a commercial software for atomic-scale modeling and simulation of nanosystems. The software was originally developed by Atomistix A/S, and was later acquired by QuantumWise following the Atomistix bankruptcy. QuantumWise was then acquired by Synopsys in 2017. Atomistix ToolKit is a further development of TranSIESTA-C, which in turn in based on the technology, models, and algorithms developed in the academic codes TranSIESTA, and McDCal, employing localized basis sets as developed in SIESTA. Features Atomistix ToolKit combines density functional theory with non-equilibrium Green's functions for first principles electronic structure and transport calculations of *electrode—nanostructure—electrode systems (two-probe systems) *molecules *periodic systems (bulk crystals and nanotubes) The key features are *Calculation of transport properties of two-probe systems under an applied bias voltage *Calculation of energy spectra, wave functions, electr ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Atomistix Virtual NanoLab
Atomistix Virtual NanoLab (VNL) is a commercial point-and-click software for simulation and analysis of physical and chemical properties of nanoscale devices. Virtual NanoLab is developed and sold commercially by QuantumWise A/S. QuantumWise was then acquired by Synopsys in 2017. Features With its graphical interface, Virtual NanoLab provides a user-friendly approach to atomic-scale modeling. The software contains a set of interactive instruments that allows the user to design nanosystems, to set up and execute numerical calculations, and to visualize the results. Samples such as molecules, nanotubes, crystalline systems, and two-probe systems (i.e. a nanostructure coupled to two electrodes) are built with a few mouse clicks. Virtual NanoLab contains a 3D visualization tool, the Nanoscope, where atomic geometries and computed results can be viewed and analyzed. One can for example plot Bloch functions of nanotubes and crystals, molecular orbitals, electron densities, and eff ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
NanoLanguage
NanoLanguage is a scripting interface built on top of the interpreted programming language Python, and is primarily intended for simulation of physical and chemical properties of nanoscale systems. Introduction Over the years, several electronic-structure codes based on density functional theory have been developed by different groups of academic researchers; VASP, Abinit, SIESTA, and Gaussian are just a few examples. The input to these programs is usually a simple text file written in a code-specific format with a set of code-specific keywords. NanoLanguage was introduced by Atomistix A/S as an interface to Atomistix ToolKit (version 2.1) in order to provide a more flexible input format. A NanoLanguage script (or input file) is just a Python program and can be anything from a few lines to a script performing complex numerical simulations, communicating with other scripts and files, and communicating with other software (e.g. plotting programs). NanoLanguage is not a proprietary ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
List Of Software For Molecular Mechanics Modeling
This is a list of computer programs that are predominantly used for molecular mechanics calculations. See also *Car–Parrinello molecular dynamics *Comparison of force-field implementations *Comparison of nucleic acid simulation software *List of molecular graphics systems *List of protein structure prediction software *List of quantum chemistry and solid-state physics software *List of software for Monte Carlo molecular modeling *List of software for nanostructures modeling *Molecular design software *Molecular dynamics *Molecular modeling on GPUs *Molecule editor A molecule editor is a computer program for creating and modifying representations of chemical structures. Molecule editors can manipulate chemical structure representations in either a simulated two-dimensional space or three-dimensional space, v ... Notes and references External linksSINCRIS [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Modelling
Molecular 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. The common feature of molecular modelling methods is the atomistic level description of the molecular systems. This may include treating atoms as the smallest individual unit (a molecular mechanics approach), or explicitly modelling protons and neutrons with its quarks, anti-quarks and gluons and electrons with its photons (a quantum chemistry approach). Molecular mechanics Molecular mechanics is one aspect of molecular modelling, as it involves the use of classical ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Graphical User Interface
The GUI ( "UI" by itself is still usually pronounced . or ), graphical user interface, is a form of user interface that allows users to interact with electronic devices through graphical icons and audio indicator such as primary notation, instead of text-based UIs, typed command labels or text navigation. GUIs were introduced in reaction to the perceived steep learning curve of CLIs ( command-line interfaces), which require commands to be typed on a computer keyboard. The actions in a GUI are usually performed through direct manipulation of the graphical elements. Beyond computers, GUIs are used in many handheld mobile devices such as MP3 players, portable media players, gaming devices, smartphones and smaller household, office and industrial controls. The term ''GUI'' tends not to be applied to other lower-display resolution types of interfaces, such as video games (where HUD (''head-up display'') is preferred), or not including flat screens like volumetric displays because ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Nanotechnology Companies
Nanotechnology, also shortened to nanotech, is the use of matter on an atomic, molecular, and supramolecular scale for industrial purposes. The earliest, widespread description of nanotechnology referred to the particular technological goal of precisely manipulating atoms and molecules for fabrication of macroscale products, also now referred to as molecular nanotechnology. A more generalized description of nanotechnology was subsequently established by the National Nanotechnology Initiative, which defined nanotechnology as the manipulation of matter with at least one dimension sized from 1 to 100 nanometers (nm). This definition reflects the fact that quantum mechanical effects are important at this quantum-realm scale, and so the definition shifted from a particular technological goal to a research category inclusive of all types of research and technologies that deal with the special properties of matter which occur below the given size threshold. It is therefore common to ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Danish Companies Established In 2003
Danish may refer to: * Something of, from, or related to the country of Denmark People * A national or citizen of Denmark, also called a "Dane," see Demographics of Denmark * Culture of Denmark * Danish people or Danes, people with a Danish ancestral or ethnic identity * A member of the Danes, a Germanic tribe * Danish (name), a male given name and surname Language * Danish language, a North Germanic language used mostly in Denmark and Northern Germany * Danish tongue or Old Norse, the parent language of all North Germanic languages Food * Danish cuisine * Danish pastry, often simply called a "Danish" See also * Dane (other) * * Gdańsk * List of Danes This is a list of notable Danish people. Actors * Ellen Aggerholm (1882–1963), stage and screen actress * Ane Grethe Antonsen (1855–1930), actress * Anna Bård (1980–), model, actress * Gry Bay (1974–), actress * Rasmus Bjerg (19 ... * Languages of Denmark {{disambiguation Language and natio ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Nanotechnology
Nanotechnology, also shortened to nanotech, is the use of matter on an atomic, molecular, and supramolecular scale for industrial purposes. The earliest, widespread description of nanotechnology referred to the particular technological goal of precisely manipulating atoms and molecules for fabrication of macroscale products, also now referred to as molecular nanotechnology. A more generalized description of nanotechnology was subsequently established by the National Nanotechnology Initiative, which defined nanotechnology as the manipulation of matter with at least one dimension sized from 1 to 100 nanometers (nm). This definition reflects the fact that quantum mechanical effects are important at this quantum-realm scale, and so the definition shifted from a particular technological goal to a research category inclusive of all types of research and technologies that deal with the special properties of matter which occur below the given size threshold. It is therefore common to ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Semiconductor
A semiconductor is a material which has an electrical resistivity and conductivity, electrical conductivity value falling between that of a electrical conductor, conductor, such as copper, and an insulator (electricity), insulator, such as glass. Its electrical resistivity and conductivity, resistivity falls as its temperature rises; metals behave in the opposite way. Its conducting properties may be altered in useful ways by introducing impurities ("doping (semiconductor), doping") into the crystal structure. When two differently doped regions exist in the same crystal, a semiconductor junction is created. The behavior of charge carriers, which include electrons, ions, and electron holes, at these junctions is the basis of diodes, transistors, and most modern electronics. Some examples of semiconductors are silicon, germanium, gallium arsenide, and elements near the so-called "metalloid staircase" on the periodic table. After silicon, gallium arsenide is the second-most common s ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Quantum Mechanics
Quantum mechanics is a fundamental theory in physics that provides a description of the physical properties of nature at the scale of atoms and subatomic particles. It is the foundation of all quantum physics including quantum chemistry, quantum field theory, quantum technology, and quantum information science. Classical physics, the collection of theories that existed before the advent of quantum mechanics, describes many aspects of nature at an ordinary (macroscopic) scale, but is not sufficient for describing them at small (atomic and subatomic) scales. Most theories in classical physics can be derived from quantum mechanics as an approximation valid at large (macroscopic) scale. Quantum mechanics differs from classical physics in that energy, momentum, angular momentum, and other quantities of a bound system are restricted to discrete values ( quantization); objects have characteristics of both particles and waves (wave–particle duality); and there are limits to ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Non-equilibrium Green's Function
Non-equilibrium thermodynamics is a branch of thermodynamics that deals with physical systems that are not in thermodynamic equilibrium but can be described in terms of macroscopic quantities (non-equilibrium state variables) that represent an extrapolation of the variables used to specify the system in thermodynamic equilibrium. Non-equilibrium thermodynamics is concerned with transport processes and with the rates of chemical reactions. Almost all systems found in nature are not in thermodynamic equilibrium, for they are changing or can be triggered to change over time, and are continuously and discontinuously subject to flux of matter and energy to and from other systems and to chemical reactions. Some systems and processes are, however, in a useful sense, near enough to thermodynamic equilibrium to allow description with useful accuracy by currently known non-equilibrium thermodynamics. Nevertheless, many natural systems and processes will always remain far beyond the scope o ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
