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Powerful computers now enable scientists to model the physical and chemical properties and behavior of complex materials using first principles. This book introduces dramatically new computational techniques in materials research, specifically for understanding molecular dynamics.
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This book introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations that enable the physical and chemical properties to be revealed by solving a many-body Schroedinger equation with Coulomb forces. For the exchange-correlation term, the local density approximation is usually applied. After the introduction of the first principles treatment, tight-binding and classical potential methods are briefly introduced to indicate how one can increase the number of atoms in the system. In the second half of the book, Monte Carlo simulation is discussed in detail. Readers can gain sufficient knowledge to begin theoretical studies in modern materials research.
Le informazioni nella sezione "Su questo libro" possono far riferimento a edizioni diverse di questo titolo.
- EditoreSpringer
- Data di pubblicazione2011
- ISBN 10 3642641555
- ISBN 13 9783642641558
- RilegaturaCopertina flessibile
- LinguaInglese
- Numero di pagine344
- Contatto del produttorenon disponibile
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Computational Materials Science
Print on DemandDa: moluna, Greven, Germania
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Condizione: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Explains typical examples of applications with all the necessary equations and graphicsStarts with the first principles molecular dynamics and proceeds to tight-binding and classical MD, then the Monte Carlo and quantum Monte Carlo methodsExplain. Codice articolo 5066404
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Computational Materials Science
Editore:
Springer Berlin Heidelberg Sep 2011, 2011
ISBN 10: 3642641555
ISBN 13: 9783642641558
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Da: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Germania
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Taschenbuch. Condizione: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Powerful computers now enable scientists to model the physical and chemical properties and behavior of complex materials using first principles. This book introduces dramatically new computational techniques in materials research, specifically for understanding molecular dynamics. This book introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations that enable the physical and chemical properties to be revealed by solving a many-body Schroedinger equation with Coulomb forces. For the exchange-correlation term, the local density approximation is usually applied. After the introduction of the first principles treatment, tight-binding and classical potential methods are briefly introduced to indicate how one can increase the number of atoms in the system. In the second half of the book, Monte Carlo simulation is discussed in detail. Readers can gain sufficient knowledge to begin theoretical studies in modern materials research. 344 pp. Englisch. Codice articolo 9783642641558
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Computational Materials Science : From Ab Initio to Monte Carlo Methods
Editore:
Springer Berlin Heidelberg, 2011
ISBN 10: 3642641555
ISBN 13: 9783642641558
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Taschenbuch
Da: AHA-BUCH GmbH, Einbeck, Germania
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Taschenbuch. Condizione: Neu. Druck auf Anfrage Neuware - Printed after ordering - There has been much progress in the computational approaches in the field of materials science during the past two decades. In particular, computer simula tion has become a very important tool in this field since it is a bridge between theory, which is often limited by its oversimplified models, and experiment, which is limited by the physical parameters. Computer simulation, on the other hand, can partially fulfill both of these paradigms, since it is based on theories and is in fact performing experiment but under any arbitrary, even unphysical, conditions. This progress is indebted to advances in computational physics and chem istry. Ab initio methods are being used widely and frequently in order to determine the electronic and/or atomic structures of different materials. The ultimate goal is to be able to predict various properties of a material just from its atomic coordinates, and also, in some cases, to even predict the sta ble atomic positions of a given material. However, at present, the applications of ab initio methods are severely limited with respect to the number of par ticles and the time scale of dynamical simulation. This is one extreme of the methodology based on very accurate electronic-level calculations. Codice articolo 9783642641558
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Computational Materials Science: From Ab Initio to Monte Carlo Methods (Springer Series in Solid-State Sciences)
Da: Ria Christie Collections, Uxbridge, Regno Unito
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Condizione: New. In. Codice articolo ria9783642641558_new
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Computational Materials Science
ISBN 10: 3642641555
ISBN 13: 9783642641558
Nuovo
Taschenbuch
Da: buchversandmimpf2000, Emtmannsberg, BAYE, Germania
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Taschenbuch. Condizione: Neu. Neuware -There has been much progress in the computational approaches in the field of materials science during the past two decades. In particular, computer simula tion has become a very important tool in this field since it is a bridge between theory, which is often limited by its oversimplified models, and experiment, which is limited by the physical parameters. Computer simulation, on the other hand, can partially fulfill both of these paradigms, since it is based on theories and is in fact performing experiment but under any arbitrary, even unphysical, conditions. This progress is indebted to advances in computational physics and chem istry. Ab initio methods are being used widely and frequently in order to determine the electronic and/or atomic structures of different materials. The ultimate goal is to be able to predict various properties of a material just from its atomic coordinates, and also, in some cases, to even predict the sta ble atomic positions of a given material. However, at present, the applications of ab initio methods are severely limited with respect to the number of par ticles and the time scale of dynamical simulation. This is one extreme of the methodology based on very accurate electronic-level calculations. 344 pp. Englisch. Codice articolo 9783642641558
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Computational Materials Science
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Condizione: New. pp. 344. Codice articolo 2658581964
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Computational Materials Science: From Ab Initio to Monte Carlo Methods (Springer Series in Solid-State Sciences)
Da: Lucky's Textbooks, Dallas, TX, U.S.A.
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Condizione: New. Codice articolo ABLIING23Mar3113020232546
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Computational Materials Science
Print on DemandDa: Majestic Books, Hounslow, Regno Unito
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Condizione: New. Print on Demand pp. 344 77 Figures, 49:B&W 6.14 x 9.21 in or 234 x 156 mm (Royal 8vo) Perfect Bound on White w/Gloss Lam. Codice articolo 51010579
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Computational Materials Science
Print on DemandDa: Biblios, Frankfurt am main, HESSE, Germania
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Condizione: New. PRINT ON DEMAND pp. 344. Codice articolo 1858581958
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Computational Materials Science: From Ab Initio to Monte Carlo Methods (Springer Series in Solid-State Sciences)
Da: Mispah books, Redhill, SURRE, Regno Unito
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Paperback. Condizione: Like New. Like New. book. Codice articolo ERICA78736426415556
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