Classical Statistical Mechanics with Nested Sampling
This thesis develops a nested sampling algorithm into a black box tool for directly calculating the partition function, and thus the complete phase diagram of a material, from the interatomic potential energy function. It represents a significant step forward in our ability to accurately describe th...
| Κύριος συγγραφέας: | |
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| Συγγραφή απο Οργανισμό/Αρχή: | |
| Μορφή: | Ηλεκτρονική πηγή Ηλ. βιβλίο |
| Γλώσσα: | English |
| Έκδοση: |
Cham :
Springer International Publishing : Imprint: Springer,
2017.
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| Σειρά: | Springer Theses, Recognizing Outstanding Ph.D. Research,
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| Θέματα: | |
| Διαθέσιμο Online: | Full Text via HEAL-Link |
Πίνακας περιεχομένων:
- Introduction
- A Primer in Probability
- Phase Space Probability Distributions for Various External Conditions
- Relating Probability Density Functions to the Behaviour of Systems
- The Strategy of Nested Sampling
- Nested Sampling for Materials
- Equations of State
- Parallelising Nested Sampling
- Hamiltonian Monte Carlo for the Canonical Distribution
- Hamiltonian Monte Carlo for Nested Sampling
- Conclusion of Thesis and Further Work.
