Constant-pressure nested sampling with atomistic dynamics
نویسندگان
چکیده
منابع مشابه
Constant-pressure nested sampling with atomistic dynamics.
The nested sampling algorithm has been shown to be a general method for calculating the pressure-temperature-composition phase diagrams of materials. While the previous implementation used single-particle Monte Carlo moves, these are inefficient for condensed systems with general interactions where single-particle moves cannot be evaluated faster than the energy of the whole system. Here we enh...
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ژورنال
عنوان ژورنال: Physical Review E
سال: 2017
ISSN: 2470-0045,2470-0053
DOI: 10.1103/physreve.96.043311