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, University of Utah, 315 South 1400 East, Salt Lake City, Utah 84112, United States Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford Street, ...

Institut de Chimie (UMR 7177), Université de Strasbourg, CNRS, 4 rue Blaise Pascal, 67000 Strasbourg, France ...

Zhejiang Key Laboratory of Data-Driven High-Safety Energy Materials Applications, Ningbo Institute of Materials Technology Engineering Chinese Academy of Sciences, Ningbo 315201, China Qianwan ...

Department of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, Bern 3012, Switzerland ...

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 ...

Key Laboratory of Advanced Energy Materials Chemistry, Ministry of Education State Key Laboratory of Advanced Chemical Power Sources Collaborative Innovation Center of Chemical Science and Engineering ...