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

• Κύριος συγγραφέας: Bartόk-Pártay, Albert (Συγγραφέας)
• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2010.
• Σειρά: Springer Theses, Recognizing Outstanding Ph.D. Research,
• Θέματα: Physics.; Quantum physics.; Atoms.; Solid state physics.; Quantum Physics.; Atomic, Molecular, Optical and Plasma Physics.; Theoretical, Mathematical and Computational Physics.; Solid State 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...

Πίνακας περιεχομένων:

• Representation of Atomic Environments
• Gaussian Process
• Interatomic Potentials
• Computational Methods
• Results
• Conclusion and Further Work
• Appendices.