劉俊孜

劉俊孜 北京科技大學化學與生物工程學院

劉俊孜，男，北京科技大學化學與生物工程學院副教授。

目錄

人物簡歷

2021.04 – 北京科技大學，副教授

2017.02 – 2021.02 美國約翰霍普金斯大學，博士後

2014.07 – 2017.01 中國科學院化學研究所，博士後

2009.09 – 2014.07 北京大學，博士

2004.09 – 2008.06 中國農業大學，學士

科研方向

理論與計算化學，量子化學，發展計算電子激發態的量子化學新方法

科研業績

國家自然科學基金面上項目：「酉耦合簇激發態理論的發展與應用」，2022.1—2025.12 項目負責人

學術成果

論文論著

完整文章列表請見https://scholar.google.com/citations?user=Q9_i2-AAAAAJ&hl=en.

1. Junzi Liu*, Devin A. Matthews*, Lan Cheng*. Quadratic unitary coupled-cluster singles and doubles scheme: efficient implementation, benchmark study, and formulation of an extended version. J. Chem. Theory Comput 2022,18(4), 2281-2291.

2. Junzi Liu, Lan Cheng*. Unitary coupled-cluster based self-consistent polarization propagator theory: a quadratic unitary coupled-cluster singles and doubles scheme. J. Chem. Phys. 2021, 155(17), 174102.

3. Junzi Liu, Lan Cheng*. Relativistic coupled-cluster and equation-of-motion coupled-cluster methods. WIREs Comput Mol Sci. 2021, e1536.

4. 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.

5. 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.

6. 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.

7. 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.

8. 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.

9. 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. h

10.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.