Classical Statistical Mechanics with Nested Sampling
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Classical Statistical Mechanics with Nested Sampling
Baldock, Robert John Nicholas
Springer International Publishing AG
11/2017
144
Dura
Inglês
9783319667683
15 a 20 dias
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.
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.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
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.
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.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
