1. Institute of High Performance Computing, Agency for Science, Technology and Research, Singapore, 1 Fusionopolis Way #16-16 Connexis, Singapore 138632
2. Institute of Chemical Engineering and Sciences, Agency for Science, Technology and Research, Singapore, 1 Pesek Road, Jurong Island, Singapore 627833
3. State
Key Laboratory of Chemical Engineering, Centre for Computational Chemistry
and Research Institute of Industrial Catalysis, East China University of Science and Technology, Shanghai 200237, People’s Republic of China
4. School of Chemistry and Chemical Engineering, Queen’s University of Belfast, Belfast, BT9 5AG, United Kingdom