Predicting patchy particle crystals: Variable box shape simulations and evolutionary algorithms
نویسندگان
چکیده
منابع مشابه
Predicting patchy particle crystals: variable box shape simulations and evolutionary algorithms.
We consider several patchy particle models that have been proposed in literature and we investigate their candidate crystal structures in a systematic way. We compare two different algorithms for predicting crystal structures: (i) an approach based on Monte Carlo simulations in the isobaric-isothermal ensemble and (ii) an optimization technique based on ideas of evolutionary algorithms. We show...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2012
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4722477