Cantitate/Preț
Produs

The Gaussian Approximation Potential: An Interatomic Potential Derived from First Principles Quantum Mechanics: Springer Theses

Autor Albert Bartók-Pártay
en Limba Engleză Paperback – 13 oct 2012
Simulation of materials at the atomistic level is an important tool in studying microscopic structures and processes. The atomic interactions necessary for the simulations are correctly described by Quantum Mechanics, but the size of systems and the length of processes that can be modelled are still limited. The framework of Gaussian Approximation Potentials that is developed in this thesis allows us to generate interatomic potentials automatically, based on quantum mechanical data. The resulting potentials offer several orders of magnitude faster computations, while maintaining quantum mechanical accuracy. The method has already been successfully applied for semiconductors and metals.
Citește tot Restrânge

Toate formatele și edițiile

Toate formatele și edițiile Preț Express
Paperback (1) 69715 lei  6-8 săpt.
  Springer Berlin, Heidelberg – 13 oct 2012 69715 lei  6-8 săpt.
Hardback (1) 70096 lei  6-8 săpt.
  Springer Berlin, Heidelberg – 6 aug 2010 70096 lei  6-8 săpt.

Din seria Springer Theses

Preț: 69715 lei

Preț vechi: 85017 lei
-18% Nou

Puncte Express: 1046

Preț estimativ în valută:
13343 13907$ 11108£

Carte tipărită la comandă

Livrare economică 04-18 ianuarie 25

Preluare comenzi: 021 569.72.76

Specificații

ISBN-13: 9783642264269
ISBN-10: 3642264263
Pagini: 104
Ilustrații: XIV, 90 p. 31 illus., 2 illus. in color.
Dimensiuni: 155 x 235 x 5 mm
Greutate: 0.16 kg
Ediția:2010
Editura: Springer Berlin, Heidelberg
Colecția Springer
Seria Springer Theses

Locul publicării:Berlin, Heidelberg, Germany

Public țintă

Research

Cuprins

Representation of Atomic Environments.- Gaussian Process.- Interatomic Potentials.- Computational Methods.- Results.- Conclusion and Further Work.- Appendices.

Recenzii

From the reviews:
“This book is actually an account of the Ph.D. work of the author, and is aimed at practitioners of molecular simulation (physicists and materials scientists, mostly) who want to construct reliable empirical force fields parameterized by data obtained from equilibrium quantum mechanical computations.” (Gabriel Stoltz, Mathematical Reviews, Issue 2011 j)

Textul de pe ultima copertă

Simulation of materials at the atomistic level is an important tool in studying microscopic structures and processes. The atomic interactions necessary for the simulations are correctly described by Quantum Mechanics, but the size of systems and the length of processes that can be modelled are still limited. The framework of Gaussian Approximation Potentials that is developed in this thesis allows us to generate interatomic potentials automatically, based on quantum mechanical data. The resulting potentials offer several orders of magnitude faster computations, while maintaining quantum mechanical accuracy. The method has already been successfully applied for semiconductors and metals.

Caracteristici

Describes an important advance in the generation of accurate interatomic potentials The method yields several orders of magnitude faster computations Nominated as an outstanding contribution by the Theory of Condensed Matter Group of Cambridge University's Cavendish Laboratory Includes supplementary material: sn.pub/extras