1 Department of Chemical and Materials Engineering, California State Polytechnic University, Pomona, CA 91768, USA. Electronic address: minghengli@cpp.edu.
2 School of Data and Computer Science, Sun Yat-sen University, Guangzhou 510006, China; Guangdong Province Key Laboratory of Computational Science, Guangzhou 510006, China; National Supercomputing Center in Guangzhou (NSCC-GZ), Guangzhou 510006, China. Electronic address: hengyi@mail.sysu.edu.cn.
3 School of Materials Science and Engineering, Sun Yat-sen University, Guangzhou 510275, China.