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副教授

李永徽

  • 职称:副教授、硕导
  • 出生年月:
  • 专业:凝聚态物理,机器学习算法,计算物理
  • Email:yonghui.li@tju.edu.cn
  • 课题组网址:http://physics.tju.edu.cn/faculty/MTY2MTE0/
课题组研究主要涉及以下内容

(1)纳米团簇分子的物理化学性质理论分析模拟,包括光电性质,催化性质和过程分析。团簇结构的机器学习算法预测归纳。星际介质中的纳米团簇理化性质。

(2)密度泛函理论的发展和应用。包括算法原理上的创新,泛函创新,评价和比较。应用方面包括但不限于纳米团簇。

(3)强化学习与量子系统的结合,包括人工智能对量子系统的识别和控制等。

(4)复杂网络的演化和博弈。

学习与工作简历

南开大学物理学 学士(2003-2007)

美国密苏里大学物理系 博士(2007-2014),导师:Ullrich Carsten

美国范德堡大学 博士后(2014-2015),导师:Kalman Varga

天津大学 (2016-)

近期论文

2015

Li Y, Ullrich CA. The Particle-hole Map: A Computational Tool To Visualize Electronic Excitations. Journal of Chemical Theory and Computation 2015;11:5838–52.https://doi.org/10.1021/acs.jctc.5b00987.

2016

He S, Russakoff A, Li Y, Varga K. Time-dependent density-functional theory simulation of local currents in pristine and single-defect zigzag graphene nanoribbons. Journal of Applied Physics 2016;120:034304.https://doi.org/10.1063/1.4959088.

Li Y, He S, Russakoff A, Varga K. Accurate time propagation method for the coupled Maxwell and Kohn-Sham equations. Physical Review E 2016;94:023314.https://doi.org/10.1103/PhysRevE.94.023314.

Li Y, Moghe D, Patil S, Guha S, Ullrich CA. Visualisation of charge-transfer excitations in donor-acceptor molecules using the particle-hole map: a case study. Molecular Physics 2016;114:1365–73.https://doi.org/10.1080/00268976.2015.1137642.

Li Y, Ullrich CA. The particle-hole map: Formal derivation and numerical implementation. The Journal of Chemical Physics 2016;145:164107.https://doi.org/10.1063/1.4966036.

Russakoff A, Li Y, He S, Varga K. Accuracy and computational efficiency of real-time subspace propagation schemes for the time-dependent density functional theory. The Journal of Chemical Physics 2016;144:204125.https://doi.org/10.1063/1.4952646.

2018

Kidd D, Covington C, Li Y, Varga K. Volkov basis for simulation of interaction of strong laser pulses and solids. Physical Review B 2018;97:024303.https://doi.org/10.1103/PhysRevB.97.024303.

Qiao Y, Liu Y, Liu H, Li Y, Long W, Wang J, et al. Fluorescence enhancement of gold nanoclusters via Zn doping for biomedical applications. RSC Advances 2018;8:7396–402.https://doi.org/10.1039/C7RA13072D.

Wang J-Y, Mu X, Li Y, Xu F, Long W, Yang J, et al. Hollow PtPdRh Nanocubes with Enhanced Catalytic Activities for In Vivo Clearance of Radiation-Induced ROS via Surface-Mediated Bond Breaking. Small 2018;14:1703736.https://doi.org/10.1002/smll.201703736.

2019

Mu X, Wang J, Li Y, Xu F, Long W, Ouyang L, et al. Redox Trimetallic Nanozyme with Neutral Environment Preference for Brain Injury. ACS Nano 2019;13:1870–84.https://doi.org/10.1021/acsnano.8b08045.

2020

Chen J, Qiao Y, Li Y, Liu T, Zhang X-D. Fluorescence enhancement of water-soluble silver nanoclusters via Au doping. AIP Advances 2020;10:125103.https://doi.org/10.1063/5.0029434.

Chen J, Liu L, Liu H, Li Y, Wang J, Mu X, et al. Ultrabright bimetallic AuAg complex: From luminescence mechanism to biological application. J Innov Opt Health Sci 2020;13:2041001.https://doi.org/10.1142/S1793545820410011.

Liu Y, Zheng T, Li Y, Dai Y. Does the conformity save us when information advantage fails? Physica A: Statistical Mechanics and Its Applications 2020;549:124499.https://doi.org/10.1016/j.physa.2020.124499.

音乐表达偏差(失歌症)量化评价分析 大学物理2020;39:66.https://doi.org/10.16854/j.cnki.1000-0712.

2021

Lin B, Zhou Y, Xu B, Zhu C, Tang W, Niu Y, et al. 2D PtS nanorectangles/g-C3 N4 nanosheets with a metal sulfide–support interaction effect for high-efficiency photocatalytic H2 evolution. Mater Horiz 2021:10.1039.D0MH01693D.https://doi.org/10.1039/D0MH01693D.

[15] Liu H, Li Y, Sun S, Xin Q, Liu S, Mu X, et al. Catalytically potent and selective clusterzymes for modulation of neuroinflammation through single-atom substitutions. Nat Commun 2021;12:114.https://doi.org/10.1038/s41467-020-20275-0.

专利

李永徽…,一种歌词歌曲匹配程度分析方法(专利号:201811180642.9)

承担的主要项目

1. 国家自然科学基金,青年基金,有机分子中化学基团的修改对电荷迁移激发态影响的第一性原理研究,2019.1-2021.12,在研

2. 天津市自然科学基金,青年基金,金属-有机纳米颗粒的光学电子性质研究,2018.4-2021.3,在研

备注:欢迎物理背景并且喜爱理论和模拟计算的同学加入,特别欢迎喜欢写程序的同学(语言不限)。

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