河北张家口人。主持国家基金委杰出青年基金1项，面上项目7项，中俄国际合作项目1项；中法蔡元培项目1项。

教育背景

1987．9 — 1991．7   河北师范大学化学系，学士

1993．9 — 1996．7   河北师范大学化学系，硕士

1999．3 — 2002．3   中国科学院研究生院，博士

工作经历

1991．9 — 1993．9   河北省沽源县第一中学，教师

1996．9 — 1999．3   河北师范大学化学系，讲师

2002．3 — 2002．9河北师范大学化学系，副教授

2002．9 — 2005．1   瑞典UPPSALA大学，博士后

2005．1 — 2006．3   瑞典LUND大学，博士后

2006．3 — 2012.7     北京师范大学化学学院副教授

2012．7 — 2021.1    北京师范大学化学学院教授

2021．1 —         北京师范大学珠海校区先进材料研究中心教授

研究方向

主要从事在光化学、光物理和光生物过程中起着决定性作用的激发态的电子结构和动力学的理论和计算模拟研究。

科研项目

1. Theoretical study on the chemical origin of firefly bioluminescence, sponsored by NSFC (2007.1~2009.12). 主持

2. Quantum chemical study on chemiluminescence of dioxetanes, sponsored by NSFC (2009.1~2011.12). 主持

3. Theoretical study on the mechanistic photolysis of hydrocarbon halides, sponsored by SRF for ROCS, SEM. 主持

4. Theoretical and experimental investigations on the assembly and regulation of novel photoconductive materials, sponsored by the Fundamental Research Funds for the Central Universities (2010.1~2012.12). 主持

5. The QM/MM computaional simulation on the mechanism of jellyfish bioluminescence, sponsored by NSFC (2011.1~2013.12). 主持

6. Chinese-French caiyuanpei project, sponsored by CSC of China and Egide of France (2010.7~2012.7). 主持

7. The computational simulation on the mechanism of bacterial bioluminescence, sponsored by NSFC (2013.1~2016.12). 主持

8. Theoretical study on bioluminescence, China National Funds for Distinguished Young Scientists, sponsored by NSFC (2014.1~2017.12). 主持

9. Quantum chemical study of mechanism for dinoflagellate bioluminescence, sponsored by NSFC (2017.1~2020.12). 主持

10. Theoretical and experimental studies of Ca2+-regulated photoprotein bioluminescence, sponsored by NSFC-RFBR (China-Russia) (2019.01-2020.12) 主持

11. Theoretical Study on the Mechanism of Energy Transfer in Photobacterium Phosphoreum Bioluminescence, sponsored by NSFC (2020.1~2023.12). 主持

12. Theoretical Design of NIR-II in vivo Bioluminescence Imaging System, sponsored by NSFC (2024.1~2027.12). 主持

发表论文

1. Feng-Yi Liu, Ya-Jun Liu*, Luca De Vico, Roland Lindh*, A Theoretical Study of the Chemiluminescent Decomposition of Dioxetanone, J. Am. Chem. Soc. 131, 6181–6188 (2009)

2. Isabelle Navizet, Ya-Jun Liu*, Nicolas Ferré, Hong-Yan Xiao, Wei-Hai Fang*, and Roland Lindh*, Color-Tuning Mechanism of Firefly Investigated by Multi-Configurational Perturbation Method, J. Am. Chem. Soc. 132, 706–712 (2010).

3. Ling Yue, Ya-Jun Liu* and Wei-Hai Fang*, Mechanistic Insight into the Chemiluminescent Decomposition of Firefly Dioxetanone, J. Am. Chem. Soc. 134, 11632–11639 (2012)

4. Bo-Wen Ding, Ya-Jun Liu*, Bioluminescence of Firefly Squid via Mechanism of Single Electron-Transfer Oxygenation and Charge-Transfer-Induced Luminescence, J. Am. Chem. Soc. 139, 1106−1119 (2017)

5. Ya-Jun Liu^*, Understanding the complete bioluminescence cycle from a multiscale computational perspective: A review, J. Photoch. Photobio. C 52, 100537 (1-25) (2022)

教学工作

本科生： 化学史

研究生： 光化学

社会工作

中国化学会物理化学学科委员会委员、中国化学会理论化学专业委员会委员。现任北京师范大学珠海校区先进材料研究中心主任、北京师范大学珠海校区化学系主任。