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...

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Bibliographic Details
Main Author: Baldock, Robert John Nicholas (Author)
Format: Electronic eBook
Language:English
Published: Cham : Springer International Publishing : Imprint: Springer, 2017.
Series:Springer Theses, Recognizing Outstanding Ph.D. Research.
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