• Haibo Ma's main research interests focus on the development of new quantum chemical methods for strongly correlated systems and theoretical investigation of excited state processes in optoelectronic materials.

    e-mail: haibo.ma@sdu.edu.cn


    Prof. Haibo Ma

  • Ke Wang graduated from Lanzhou University with a B.S. degree in chemistry. After two years of exploration and redemption, he decided to give himself a new beginning and went to Nanjing University as a graduate student under the supervision of Prof. Chungen Liu in 2017.  Two years later, He joined the Ma group and started his Ph.D. career officially. Currently, he's working on the development of excited state methods for large systems. He is an amateur photographer with a rusty skill of badminton.

    Mr. Ke Wang

    Zhangxia graduated with a BE in Applied Chemistry from North China Electric Power University in June 2018 and joined the Ma group in September. She is working on singlet fission related topics.

    Ms. Zhangxia Wang

    Ke graduated with a B.S. in Chemistry from the Ocean University of China in 2018. He joined Ma group as a Ph.D. student under Prof. Weihai Fang. He focuses on the computational studies of electron correlation effects of complex metal systems using multiple reference methods such as CASSCF and DMRG. He enjoys playing badminton but his skills suck.

    Mr. Ke Niu

    Yihe received his B.S. from Nanjing University and now a Ph.D. student there investigated by Chungen Liu and Haibo Ma. He works on quantum dynamic methods of large-scale chemical systems, mainly with TD-DMRG. 

    Mr. Yihe Xu

    Yifan graduated with BSc in Chemistry (2019) from Nanjing University, China. Currently, his research focused on developing multi-reference methods for studying the properties of transition metal complexes.

    Mr. Yifan Cheng

    Yuli received the B.E. degree in materials science from East China University of Science and Technology in 2020, and then joined the Ma's group as a M.Sc. student in September.  From 2022.9, he becomes a new member of Ph.D. students in the Ma's group. His research interest focuses on the nonadiabatic molecular dynamical simulation of ultrafast photophysical and photochemical processes in low-dimensional materials.

    Mr. Yuli Lei

    Cheng Peng received her M.S. degree in physical chemistry in Soochow University and then joined the Ma's group as Ph.D. candidate in September 2023. Her research interest focuses on the computational studies of metal complexes through multiple reference methods.

    Ms. Cheng Peng

  • Fangwen Peng graduated from Anhuijianzhu University in China with a BS degree in Applied Chemistry in Jun 2019, and then spent two years being a workman. In November 2021, he joined the Ma group, where he is working on the module "geometry optimization" of Kylin.

    Mr. Fangwen Peng

    Wei Huang received his BSc in Polymer Materials Science and Engineering from Nanjing University of Posts and Telecommunications in 2022. However, he is interested in theoretical and computational chemistry since his sophomore year. Currently, he is working on Multi-reference Configuration Interaction Methods.

    Mr. Wei Huang

    Ting Bao completed her studies in Applied Chemistry at Linyi University in 2022.Her research interests lie in the field of computational modeling of photoelectronic or photocatalytic materials.In her leisure time, she enjoys an active lifestyle and is particularly fond of skateboarding.

    Ms. Ting Bao

    Peng Zhou graduated from Nanchang Hangkong University in 2023 with a bachelor's degree in Applied Chemistry. His research focuses on the theoretical study of metal enzyme catalyzed reaction mechanisms.

    Mr. Peng Zhou

  • Dr. Yinxuan Song (Ph.D. Student 2017-2023)

    Dr. Yingqi Tian (Post-doc 2021-2023)

    Mr. Xuexiao Yang (Master Student 2020-2023)

    Dr. Zhen Luo (Ph.D. Student 2017-2021; Post-doc 2021-2023)

    Ms. Jiamin Jin (Master Student 2020-2022)

    Dr. Luis Vasquez (Post-doc 2021-2023)

    Mr. Zhaoxuan Xie (Master Student 2019 - 2022), now phd student at Univ. of Munich
    Mr. Yu Xiong (Undergraduate student 2021 - 2022), now graduate student at Tsinghua Univ.
    Mr. Honglin Huang (Undergraduate student 2021 - 2022), now graduate student at Nanjing Univ.
    Dr. Yaping Wen (Ph.D. Student 2018 - 2021), now lecturer at Henan Normal Univ.
    Dr. Zhi-Wen Zhao (Research Assistant 2021 - 2022), now lecturer at Hubei Univ. of Arts and Science
    Dr. Théophile Gaudin (Post-doc 2018 - 2020), now scientist at Dassault Systèmes
    Dr. Xiaoyu Xie (Ph.D. Student 2014 - 2019), now post-doc at Univ. of Liverpool
    Dr. Jing Wen (Ph.D. Student 2013 - 2017; post-doc 2017 - 2019), now lecturer at Wuhan Institute of Technology
    Dr. Harikrishna Sahu (Post-doc 2017 - 2019), now post-doc at Georgia Tech
    Dr. Yingjin Ma (Ph.D. Student 2010 - 2013), now researcher at Computer Network Information Center, Chinese Academy of Sciences
    Mr. Yunhao Liu (Master Student 2018 - 2021), now Ph.D. student at Westlake Univ.
    Mr. Feng Yang (Master Student 2017 - 2020), now at vivo
    Mr. Jianhao Li (Undergraduate student 2019 - 2021), now graduate student at Univ. of Minnesota
    Mr. Lingzhi Zhang (Undergraduate student 2020 - 2021), now graduate student at Univ. of Tokyo
    Mr. Hengrui Yang (Undergraduate student 2018 - 2019), now graduate student at Tsinghua Univ.
    Mr. Weining Rao (Undergraduate student 2017 - 2018)
    Mr. Cheng Zhang (Undergraduate student 2017 - 2018)
    Mr. Xiaobo Ye (Undergraduate student 2017 - 2018)
    Mr. Weiwei Gu (Undergraduate student 2016 - 2017)
    Mr. Xingyue Cao (Undergraduate student 2014 - 2015)
    Mr. Ding Luo (Undergraduate student 2013 - 2014)
    Mr. Zihao Xu (Undergraduate student 2012 - 2013)

  • Xiaoyu Xie focuses on modelling the electronic and vibrational structures of molecular aggregates, such as organic semiconductor systems. He is also interested in the theoretical study of excitonic processes (spectrum, dynamics, etc.) in optoelectronic materials.

    e-mail: xiaoyuxie@sdu.edu.cn


    Dr. Xiaoyu Xie

  • Qian Wang received her M.S. degree in applied psychology in Qingdao University and joined the Ma group in September 2023 as a Administrative Coordinator, assisting the Ma group to complete various administrative work. 

    e-mail: wqian@sdu.edu.cn


    Ms. Qian Wang