Książka Gaussian Approximation Potential Albert Bart k-Pártay

Gaussian Approximation Potential

An Interatomic Potential Derived from First Principles Quantum Mechanics

Język: Angielski
Oprawa: Twarda
Dostępność: Dostępna u dostawcy
Wysyłamy za 10-13 dni
509.51
Simulation of materials at the atomistic level is an important tool in studying microscopic structur...

Informacje o książce

Język
Angielski
Oprawa
Książka - Twarda
Data wydania
2010
strony
90
EAN
9783642140662
ISBN
3642140661
Enbook ID
01656149
Waga
349
Wymiary
160 x 241 x 10

Pełny opis

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.

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