The swap Monte Carlo algorithm introduces nonphysical dynamic rules to accelerate the exploration of the configuration space ...

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Key Laboratory of Synthetic and Natural Functional Molecule of the Ministry of Education, Xi’an Key Laboratory of Functional Supramolecular Structure and Materials, College of Chemistry & Materials ...

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Department of Chemistry, Institute of Organic Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg, Germany ...

Key Laboratory of Excited-State Materials of Zhejiang Province, Department of Chemistry, State Key Laboratory of Silicon and Advanced Semiconductor Materials, Zhejiang University, Hangzhou 310058, ...

Department of Chemistry, University of Wisconsin─Madison, 1101 University Avenue, Madison, Wisconsin 53706, United States ...

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Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India ...

Department of Environmental Medicine, University of Rochester Medical Center, 575 Elmwood Avenue, Rochester, New York 14620, United States ...