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...
Enregistré dans:
| Auteur principal: | |
|---|---|
| Format: | Livre numérique |
| Langue: | Anglais |
| Publié: |
Berlin, Heidelberg :
Springer Berlin Heidelberg
[20..].
Cham : Springer Nature |
| Édition: | 1st ed. 2010. |
| Collection: | Springer Theses, Recognizing Outstanding Ph.D. Research
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| Accès en ligne: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| Note: |
Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| Autres localisations: | Voir dans le Sudoc |
| Edition sous un autre format: | • The gaussian approximation potential, an interatomic potential derived from first principles quantum mechanics, by Albert Bartók-Pártay., Berlin, Heidelberg, Springer, 2010, 1 vol. (88 p.), Springer Theses, 978-3-642-14066-2 |
Table des matières:
- Representation of Atomic Environments Gaussian Process Interatomic Potentials Computational Methods Results Conclusion and Further Work Appendices.