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The Gaussian Approximation Potential An Interatomic Potential Derived From First Principles Quantum Mechanics 2010th Edition Bartkprtay

Name: The Gaussian Approximation Potential An Interatomic Potential Derived From First Principles Quantum Mechanics 2010th Edition Bartkprtay
SKU: BELL-56227468
Price: 31.00 USD
Availability: InStock
Rating: 4.1 (40 reviews)

SKU: BELL-56227468

The Gaussian Approximation Potential An Interatomic Potential Derived From First Principles Quantum Mechanics 2010th Edition Bartkprtay

$ 31.00 ~~$ 45.00~~ (-31%)

4.1

40 reviews

The Gaussian Approximation Potential An Interatomic Potential Derived From First Principles Quantum Mechanics 2010th Edition Bartkprtay instant download after payment.

Publisher: Springer

File Extension: PDF

File size: 1.83 MB

Pages: 96

Author: Bartók-Pártay, Albert

ISBN: 9783642140662, 3642140661

Language: English

Year: 2010

Edition: 2010

Product desciption

The Gaussian Approximation Potential An Interatomic Potential Derived From First Principles Quantum Mechanics 2010th Edition Bartkprtay by Bartók-pártay, Albert 9783642140662, 3642140661 instant download after payment.

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.