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Cone Algorithm
In computational geometry, the cone algorithm is an algorithm for identifying the particles that are near the surface of an object composed of discrete particles. Its applications include computational surface science and computational nano science. The cone algorithm was first described in a publication about nanogold Colloidal gold is a sol or colloidal suspension of nanoparticles of gold in a fluid, usually water. The colloid is usually either wine-red coloured (for spherical particles less than 100 nm) or blue/purple (for larger spherical particl ... in 2005. The cone algorithm works well with clusters in condensed phases, including solid and liquid phases. It can handle the situations when one configuration includes multiple clusters or when holes exist inside clusters. It can also be applied to a cluster iteratively to identify multiple sub-surface layers. References * Yanting Wang, S. Teitel, and Christoph Dellago (2005)Melting of Icosahedral Gold Nanoclus ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Computational Geometry
Computational geometry is a branch of computer science devoted to the study of algorithms which can be stated in terms of geometry. Some purely geometrical problems arise out of the study of computational geometric algorithms, and such problems are also considered to be part of computational geometry. While modern computational geometry is a recent development, it is one of the oldest fields of computing with a history stretching back to antiquity. Analysis of algorithms, Computational complexity is central to computational geometry, with great practical significance if algorithms are used on very large datasets containing tens or hundreds of millions of points. For such sets, the difference between O(''n''2) and O(''n'' log ''n'') may be the difference between days and seconds of computation. The main impetus for the development of computational geometry as a discipline was progress in computer graphics and computer-aided design and manufacturing (Computer-aided design, CAD/Compu ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Algorithm
In mathematics and computer science, an algorithm () is a finite sequence of rigorous instructions, typically used to solve a class of specific Computational problem, problems or to perform a computation. Algorithms are used as specifications for performing calculations and data processing. More advanced algorithms can perform automated deductions (referred to as automated reasoning) and use mathematical and logical tests to divert the code execution through various routes (referred to as automated decision-making). Using human characteristics as descriptors of machines in metaphorical ways was already practiced by Alan Turing with terms such as "memory", "search" and "stimulus". In contrast, a Heuristic (computer science), heuristic is an approach to problem solving that may not be fully specified or may not guarantee correct or optimal results, especially in problem domains where there is no well-defined correct or optimal result. As an effective method, an algorithm ca ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Surface Science
Surface science is the study of physical and chemical phenomena that occur at the interface of two phases, including solid–liquid interfaces, solid–gas interfaces, solid–vacuum interfaces, and liquid–gas interfaces. It includes the fields of ''surface chemistry'' and '' surface physics''. Some related practical applications are classed as surface engineering. The science encompasses concepts such as heterogeneous catalysis, semiconductor device fabrication, fuel cells, self-assembled monolayers, and adhesives. Surface science is closely related to interface and colloid science. Interfacial chemistry and physics are common subjects for both. The methods are different. In addition, interface and colloid science studies macroscopic phenomena that occur in heterogeneous systems due to peculiarities of interfaces. History The field of surface chemistry started with heterogeneous catalysis pioneered by Paul Sabatier on hydrogenation and Fritz Haber on the Haber process. Irving ... [...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] |
Nanogold
Colloidal gold is a sol or colloidal suspension of nanoparticles of gold in a fluid, usually water. The colloid is usually either wine-red coloured (for spherical particles less than 100 nm) or blue/purple (for larger spherical particles or nanorods). Due to their optical, electronic, and molecular-recognition properties, gold nanoparticles are the subject of substantial research, with many potential or promised applications in a wide variety of areas, including electron microscopy, electronics, nanotechnology, materials science, and biomedicine. The properties of colloidal gold nanoparticles, and thus their potential applications, depend strongly upon their size and shape. For example, rodlike particles have both a transverse and longitudinal absorption peak, and anisotropy of the shape affects their self-assembly. History Used since ancient times as a method of staining glass colloidal gold was used in the 4th-century Lycurgus Cup, which changes color dependin ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Christoph Dellago
Christoph is a male given name and surname. It is a German variant of Christopher. Notable people with the given name Christoph * Christoph Bach (1613–1661), German musician * Christoph Büchel (born 1966), Swiss artist * Christoph Dientzenhofer (1655–1722), German architect * Christoph Harting (born 1990), German athlete specialising in the discus throw * Christoph M. Herbst (born 1966), German actor * Christoph Kramer (born 1991), German football player and winner of the 2014 FIFA World Cup * Christoph M. Kimmich (born 1939), German-American historian and eighth President of Brooklyn College * Christoph Metzelder (born 1980), German football player * Christoph Riegler (born 1992), Austrian football player * Christoph Waltz (born 1956), German-Austrian actor and two times winner of the OSCARS Academy Award * Christoph M. Wieland (1733–1813), German poet and writer * Prince Christoph of Württemberg (1515–1568), German regent and duke of the Duchy of Württemberg * Pri ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Modelling Software
A molecule is a group of two or more atoms held together by attractive forces known as chemical bonds; depending on context, the term may or may not include ions which satisfy this criterion. In quantum physics, organic chemistry, and biochemistry, the distinction from ions is dropped and ''molecule'' is often used when referring to polyatomic ions. A molecule may be homonuclear, that is, it consists of atoms of one chemical element, e.g. two atoms in the oxygen molecule (O2); or it may be heteronuclear, a chemical compound composed of more than one element, e.g. water (two hydrogen atoms and one oxygen atom; H2O). In the kinetic theory of gases, the term ''molecule'' is often used for any gaseous particle regardless of its composition. This relaxes the requirement that a molecule contains two or more atoms, since the noble gases are individual atoms. Atoms and complexes connected by non-covalent interactions, such as hydrogen bonds or ionic bonds, are typically not considere ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
