LIU Junzi

Associate Professor
office location:Physics & Chemistry Building 337
Research Interests:Theoretical and computational chemistry, quantum chemistry, development of new quantum-chemical methods for electronically excited states.

2021.04 – now Associate Professor, University of Science and Technology Beijing 2017.02 – 2021.03 Postdoc fellow, Johns Hopkins University 2014.07 – 2017.01 Postdoc fellow, Institute of Chemistry Chinese Academy of Sciences 2009.09 – 2014.07 Ph.D., Peking University 2004.09 – 2008.06 B.S., China Agriculture University

Scientific research achievements

Enrollment plan

Representative papers

The complete list of publication can be found at 1.Junzi Liu, Lan Cheng*. Unitary coupled-cluster based self-consistent polarization propagator theory: a quadratic unitary coupled-cluster singles and doubles scheme. 2.Junzi Liu, Lan Cheng*. Relativistic coupled-cluster and equation-of-motion coupled-cluster methods. WIREs Comput Mol Sci. 2021, e1536. 3.Junzi Liu, Xuechen Zheng, Ayush Asthana, Chaoqun Zhang, Lan Cheng*. Analytic evaluation of energy first derivatives for spin–orbit coupled-cluster singles and doubles augmented with noniterative triples method: General formulation and an implementation for first-order properties. J. Chem. Phys. 2021, 154 (6), 064110. 4.Junzi Liu, Devin Matthews, Sornia Coriani, Lan Cheng*. Benchmark calculations of K-edge ionization energies for first-row elements using scalar-relativistic core–valence-separated equation-of-motion coupled-cluster methods. J. Chem. Theory Comput 2019,15(3), 1642-1651. 5.Junzi Liu, Ayush Asthana, Lan Cheng*, Debashis Mukherjee. Unitary coupled-cluster based self-consistent polarization propagator theory: A third-order formulation and pilot applications. J. Chem. Phys. 2018, 148 (24), 244110. 6.Junzi Liu, Lan Cheng*. An atomic mean-field spin-orbit approach within exact two-component theory for a non-perturbative treatment of spin-orbit coupling. J. Chem. Phys. 2018, 148 (14), 144108. 7.Junzi Liu, Yue Shen, Ayush Asthana, Lan Cheng*. Two-component relativistic coupled-cluster methods using mean-field spin-orbit integrals. J. Chem. Phys. 2018, 148 (3), 034106. 8.Junzi Liu, Yong Zhang, Peng Bao, Yuanping Yi*. Evaluating electronic couplings for excited state charge transfer based on maximum occupation method ΔSCF quasi-adiabatic states. J. Chem. Theory Comput 2017,13(2), 843-851. 9.Junzi Liu, Yong Zhang, Wenjian Liu*. Photoexcitation of light-harvesting C–P–C60 triads: A FLMO-TD-DFT study. J. Chem. Theory Comput 2014,10(6), 2436-2448.

Postgraduate training

  • School of Chemistry and Biological Engineering, USTB
  • 30 Xueyuan Road, Haidian District, Beijing,100083