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The Gaussian Approximation Potential An Interatomic Potential Derived from First Principles Quantum Mechanics /
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...
| Call Number: | Libro Electrónico |
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| Main Author: | |
| Corporate Author: | |
| Format: | Electronic eBook |
| Language: | Inglés |
| Published: |
Berlin, Heidelberg :
Springer Berlin Heidelberg : Imprint: Springer,
2010.
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| Edition: | 1st ed. 2010. |
| Series: | Springer Theses, Recognizing Outstanding Ph.D. Research,
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| Subjects: | |
| Online Access: | Texto Completo |
Table of Contents:
- Representation of Atomic Environments
- Gaussian Process
- Interatomic Potentials
- Computational Methods
- Results
- Conclusion and Further Work
- Appendices.