Skip to product information
The Gaussian Approximation Potential

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

Sale price  $116.99 Regular price  $129.99

Reliable shipping

Flexible returns

Springer Theses

The Gaussian Approximation Potential

An Interatomic Potential Derived from First Principles Quantum Mechanics

Albert Bartók-Pártay

Science / Physics / Quantum Theory

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.

Publication Date: 06 August 2010
Publisher: Springer Berlin Heidelberg
Imprint: Springer
ISBN-13: 9783642140662
Format: Hardback
Page Count: 90

You may also like