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.
| ISBN: | 9783642264269 |
| Publication date: | 13th October 2012 |
| Author: | Albert BartókPártay |
| Publisher: | Springer an imprint of Springer Berlin Heidelberg |
| Format: | Paperback |
| Pagination: | 90 pages |
| Series: | Springer Theses |
| Genres: |
Quantum physics (quantum mechanics and quantum field theory) Condensed matter physics (liquid state and solid state physics) Atomic and molecular physics Mathematical physics |
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.
The Gaussian Approximation Potential features in the following genres: Quantum physics (quantum mechanics and quantum field theory), Condensed matter physics (liquid state and solid state physics), Atomic and molecular physics, Mathematical physics
The Gaussian Approximation Potential is available in Paperback, Hardback
The Gaussian Approximation Potential was written by Albert BartókPártay and published by Springer an imprint of Springer Berlin Heidelberg
The Gaussian Approximation Potential has 90 pages
Yes it is part of Springer Theses series