1. State Key Laboratory of Chemo/Bio‐Sensing and Chemometrics College of Chemistry and Chemical Engineering Advanced Catalytic Engineering Research Center of the Ministry of Education Hunan University Changsha 410082 China
2. College of Materials Science and Engineering College of Physics and Optoelectronic Engineering Shenzhen University Shenzhen 518060 China
3. Shenzhen JL Computational Science and Applied Research Institute Shenzhen 518110 China
4. Beijing Computational Science Research Center (CSRC) Beijing 100193 China
5. Bremen Center for Computational Materials Science University of Bremen 2835 Bremen Germany