The swap Monte Carlo algorithm introduces nonphysical dynamic rules to accelerate the exploration of the configuration space ...
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 ...
*Email: [email protected]. Tel: +49 (0)30 8413 5140.
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 ...
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, Purdue University, West Lafayette, Indiana 47907, United States ...
College of Environment and Climate, Guangdong Provincial Key Laboratory of Environmental Pollution and Health, Jinan University, Guangzhou 510632, Guangdong, China ...
Department of Chemistry, Tsinghua University, Beijing 100084, P. R. China Beijing Advanced Innovation Center for Materials Genome Engineering, Institute of Solid State Chemistry, University of Science ...
Physics of Energy Conversion and Storage, Department of Physics, Technical University of Munich, James-Franck-Straße 1, 85748 Garching bei München, Germany ...
Insilico Medicine Shanghai Ltd, Suite 901, Tower C, Changtai Plaza, 2889 Jinke Road, Pudong New District, Shanghai 201203, China ...
Department of Radiation Science and Technology, Delft University of Technology, Delft 2629 JB, The Netherlands ...
Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom ...
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