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 ...
SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, 443 Via Ortega, Stanford, California 94305, United States SUNCAT Center for Interface ...
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 Chemistry, Rice University, Houston, Texas 77005, United States Laboratory for Nanophotonics, Rice University, Houston, Texas 77005, United States ...
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The design of novel reactors and chemical processes requires an understanding of the fundamental chemical-physical processes at small spatial and temporal scales and a systematic scale-up of these ...
Physics of Energy Conversion and Storage, Department of Physics, Technical University of Munich, James-Franck-Straße 1, 85748 Garching bei München, Germany ...