| 2024: |
| Wencheng Lu | Posdoc, Carnegie Institution for Science, USA |
| | Supervisor: Timothy Strobel |
| Kui Wang | Posdoc, University of Illinois Chicago, USA |
| | Supervisor: Russell Hemley |
| | | |
| 2022: |
| Ying Su | Posdoc, RutgersUniversity, USA |
| | Supervisor: Li Zhu |
| | | |
| 2021: |
| Qiang Xu | Postdoc, Lawrence Berkeley National Laboratory, USA |
| | Supervisor: Oliver Gessner and Jin Qian |
| Sen Shao | Postdoc, Nanyang Technological University, Singapore |
| | Supervisor: Guoqing Chang |
| 2019: |
| Xuecheng Shao | Postdoc, Rutgers University, USA |
| | Supevisor: Michele Pavanello |
| Dongbao Luo |
Postdoc, RWTH Aachen University, Germany |
| | Supevisor: Richard Dronskowski |
| 2018: |
| Yunwei Zhang | Postdoc, Cambridge University, UK. |
| | Supevisor: Alpha Lee |
| Xiaolei Feng |
PhD researcher, Cambridge University, UK. |
| | Supevisor: Simon Redferm |
| 2017: |
| Chuanxun Su | Postdoc, Stanford University, USA. |
| | Supevisor: Jens K. Nørskov and Thomas Bligaard |
| Bo Gao | Postdoc, Japan National Institute of Materials, Japan. |
| | Supevisor: Yoshitaka Tateyama |
| 2016: |
| Wenhui Mi | Postdoc, Duke University, USA. |
| | Supevisor: Volker Blum |
| Yuwei Li | Postdoc, University of Missouri, USA. |
| | Supevisor: David J. Singh |
| Ketao Yin | Postdoc, University of Saskatchewan, Canada. |
| | Supevisor: John Tse (Canada Research Chair) |
| Cheng Lu | Postdoc, University of Nevada, USA. |
| | Supevisor: Changfeng Chen |
| 2014: |
| Li Zhu | Postdoc, University of Basel. |
| | Supevisor: Stefan Goedecker |
| 2013: |
| Hongbo Wang | Postdoc, University of Mainz, Germany. |
| | Supevisor: Mikhail Eremets |
| Hanyu Liu | Postdoc, University of Saskatchewan, Canada. |
| | Supevisor: John Tse |
| 2012: |
| Guoying Gao | Postdoc, Cornel University, USA. |
| | Supevisor: Roald Hoffmann (Nobel Prize winner) and Neil Ashcroft |
| Xin Chen | Postdoc, Oak Ridge National Laboratory, Oak Ridge, USA. |
| | Supevisor: David J. Singh |
| 2011: |
| Quan Li | Postdoc, University of Nevada, USA. |
| | Supevisor: Changfeng Chen |
| Yinwei Li | Postdoc, University of Saskatchewan, Canada. |
| | Supevisor: John Tse |
| 2010: |
| Yu Xie | Postdoc, Swiss Federal Institute of Technology Zurich, Zurich, Switzerland. |
| | Supevisor: Michele Parrinello |
| Hui Wang | Postdoc, University of Saskatchewan, Canada. |
| | Supevisor: John Tse |
| 2008: |
| Lijun Zhang | Postdoc, Oak Ridge National Laboratory, USA. |
| | Supevisor: David J. Singh |
| Yan Li | Postdoc, RWTH Aachen University, Germany. |
| | Supevisor: Riccardo Mazzarello |
| 2015: |
| Yuanyuan Zhou | Ph.D.,Technische Universität of Berlin, Germany. |
| 2014: |
| Wenwen Cui | Ph.D., Claude Bernard University Lyon 1, Lyon, France. |
| Jingming Shi | Ph.D., Claude Bernard University Lyon 1, Lyon, France. |
| 2010: |
| Yang Xia | Ph.D., Université de Technologie de Compiègn, Compiègn, France. |
| Zhenwei Li | Ph.D., King's College London, London, England. |
| 2008: |
| Jingyun Zhang | Research Scientist, 2008, Agency for Science, Technology and Research, Singapore. |