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

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Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023, China Center of Materials and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing, 100049 ...

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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 ...

Department of Radiation Science and Technology, Delft University of Technology, Delft 2629 JB, The Netherlands ...

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

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