No. | Name | Societies | Position |
| 1 | Cunhao Zhang | The Third World Academy of Sciences (TWAS) | Membership |
| 2 | Cunhao Zhang | The Royal Society of Chemistry | Fellow |
| 3 | Guohe Sha | The Royal Society of Chemistry | Fellow |
| 4 | Xueming Yang | The American Physical Society | Fellow |
No. | Name | Journals | Position |
| 5 | Xueming Yang | Science Advances | Associate Editor |
| 6 | Xueming Yang | Journal of Physical Chemistry A, B, C | Senior Editor |
| 7 | Xueming Yang | Chemical Society Reviews | Advisory Board Member |
| 8 | Xueming Yang | International Reviews in Physical Chemistry | Consultant Editor |
| 9 | Xueming Yang | Physical Chemistry Chemical Physics | Advisory Board
Member |
| 10 | Xueming Yang | Chemical Physics Letters | Advisory Editoral
Board Member |
| 11 | Xueming Yang | Science China Chemistry | Editorial Board Member |
| 12 | Xueming Yang | Chinese Physics B | Editorial Board Member |
| 13 | Xueming Yang | Chinese Journal of Chemical Physics | Editor-in-Chief |
| 14 | Xueming Yang | Progress In Chemistry | Editorial Board Member |
| 15 | Donghui Zhang | Scientific Reports | Editorial Board Member |
| 16 | Donghui Zhang | Chinese Journal of Chemical Physics | Editorial Board Member |
| 17 | Donghui Zhang | Chemical Physics Letters | Editorial Board Member |
| 18 | Donghui Zhang | Acta Physico-Chimica Sinica | Editorial Board Member |
| 19 | Keli Han | Scientific Reports | Editorial Board Member |
| 20 | Keli Han | Journal of Atomic and Molecular Sciences | Associate Editor |
| 21 | Keli Han | Progress in Natural Science | Editorial Board Member |
| 22 | Keli Han | Journal of Theoretical and Computational Chemistry | Advisory Editor |
| 23 | Keli Han | Communications in Computational Chemistry | Editor-in-Chief |
| 24 | Keli Han | Chinese Journal of Chemical Physics | Editorial Board Member |
| 25 | Keli Han | Interdisciplinary Sciences: Computational Life Sciences | Editorial Board Member |
| 26 | Keli Han | Journal of Atomic and Molecular Physics | Editorial Board Member |
| 27 | Guohui Li | Journal of Theoretical and Computational Chemistry | Advisory Editor |
| 28 | Guohui Li | Interdisciplinary Sciences: Computational Life Science | Editorial Board Member |
| 29 | Guohui Li | Scientific Reports | Editorial Board Member |
| 30 | Guangjiu Zhao | Central European Journal of Physics | Editor |
| 31 | Guangjiu Zhao | Journal of Physics & Astronomy | Editorial Board Member |
