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Pengyue Gao

Office Location

Room B213-6



2012 - 2017 State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Ph.D in Condensed Matter Physics. Supervisor Prof. Yanming Ma.

2008 - 2012 College of Physics, Jilin University. Bachelor of Science.

Professional Employment

2021.5-now Lecturer in College of Physics of Jilin University

2019.4-2021.4 Postdoc, Jilin University

2018.1-2019.3 Postdoc, Changchun Institute of Applied Chemistry Chinese Academy of Sciences

Research Interests

The development of variable chemical composition structure prediction method and it’s applications

The design of X-ray diffraction data-assisted structure search program

Selected Publications

1. Pengyue Gao, Qunchao Tong, Jian Lv, Yanchao Wang*, Yanming Ma*, X-ray diffraction data-assisted structure searches, Computer Physics Communications, 2017, 213: 40-45.

2. Bo Gao#, Pengyue Gao#, Shaohua Lu, Jian Lv, Yanchao Wang, Yanming Ma*, Interface structure prediction via CALYPSO method, Science Bulletin, 2019, 64: 301-309.

3. Ketao Yin#, Pengyue Gao#, Xuecheng Shao, Bo Gao, Hanyu Liu, Jian Lv, John S. Tse*, Yanchao Wang*, Yanming Ma*, An automated predictor for identifying transition states in solids, NPJ Computational Materials, 2020, 6: 16.

4. Xiaolei Feng#, Pengyue Gao#, Xue Li, Min Wu, Hui Wang, Jian Lv*, Simon A. T. Redfern*, Hanyu Liu*, Yanming Ma, High-pressure modulated structures in beryllium chalcogenides, Physical Review B, 2019, 100: 014102.

5. Pengyue Gao#, Chuanxun Su#, Sen Shao, Sheng Wang, Peng Liu, Siyu Liu, Jian Lv*, Iron–magnesium compounds under high pressure, New Journal of Chemistry, 2019, 43: 17403-17407.

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