复旦大学化学系物理化学张颖

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张颖,物理化学，复旦大学青年研究员，博士生导师，本科毕业于厦门大学，2017年 入选中组部国家青年计划。主要从事

高等级密度泛函方法开发等方面的研究。

电子邮箱：igor_zhangying@fudan.edu.cn
办公地点：江湾校区化学楼
电话：
传真：86-21-55665572
课题组主页：http://www.chemistry.fudan.edu.cn/teacher.asp?tno=igoryingzhang
研究兴趣
-高等级密度泛函方法开发
-偶合簇波函数方法开发
-电子结构计算程序高性能并行设计
-分子与固体测试集构建与分析
-机器深度学习在电子结构方法开发中的应用
获奖情况
2017年 入选中组部国家青年计划
学习工作经历
1999.9-2003.7 厦门大学化学系本科，获得理学学士学位
2003.9-2006.9 厦门大学化学系硕士，获得硕士学士学位
2006.9-2010.12 厦门大学化学系博士，获得博士学士学位
2008.9-2011.6 瑞典皇家理工学院博士，获得博士学士学位
2011.6-2012.5 瑞典皇家理工学院博士后
2012.5-2014.5 德国马普学会弗里茨-哈勃研究所博士后
2014.5-2018.2 德国马普学会弗里茨-哈勃研究所，课题组长
2018.2起 复旦大学化学系青年研究员
代表性论文或专著

• Book: Igor Ying Zhang, and Xin Xu*, A new generation density functional towards chemical accuracy for chemistry of main group elements, Springer, 2014.
• I. Y. Zhang*, P. Rinke, J. P. Perdew, and M. Scheffler, Towards efficient orbital-dependent density functionals for weak and strong correlation, Phys. Rew. Lett., 117, 133002 (2016).
• I. Y. Zhang*, P. Rinke, and M. Scheffler, Wave-function inspired density functional applied to the H2/H2+ challenge, New J. Phys. 18, 073026 (2016).
• A. Ihrig*, J. Wieferink, I. Y. Zhang*, M. Ropo, X. Ren, P. Rinke, M. Scheffler, and V. Blum*, Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory, New J. Phys., 17, 093020 (2015).
• I. Y. Zhang*, X. Ren, P. Rinke, V. Blum, and M. Scheffler, Numeric Atom-Centered-Orbital Basis Sets with Valence-Correlation Consistency from H to Ar. New J. Phys.  15, 123033 (2013).
• I. Y. Zhang, and X. Xu*, Long range corrected doubly hybrid density functional approximation to approach uniform accuracy for complex molecular systems, J. Phys. Chem. Lett. 4, 1669 (2013).
• I. Y. Zhang, and X. Xu*, Gas-Phase Thermodynamics as a Validation of Computational Catalysis on Surfaces: A Case Study of Fischer–Tropsch Synthesis, ChemPhysChem 13, 1486. (2012, VIP).
• I. Y. Zhang, X. Xu*, Y. Jung*, and W. A. Goddard III*, A fast doubly hybrid density functional method close to chemical accuracy: XYGJ-OS, Proc. Nat. Acad. Sci, USA, 108, 19896 (2011).
• I. Y. Zhang, and Xin Xu*, Doubly hybrid density functional for accurate description of nonbond interactions, thermochemistry, and thermochemical kinetics, Int. Rev. Phys. Chem., 30(1)(2011)115-160 (2011, invited contribution).
• I. Y. Zhang, J. Wu, and X. Xu*, Extending the reliability and applicability of B3LYP, Chem. Comm. 46, 3057 (2010, Feature article).
• Y. Zhang, X. Xu*, and W. A. Goddard III*, Doubly Hybrid Density Functional for Accurate Descriptions of Nonbond Interactions, Thermochemistry, and Thermochemical Kinetics, Proc. Nat. Acad. Sci, USA, 106, 4963(2009).
• Y. Zhang, A. Wu, X. Xu, and Y. Yan, OPBE: A promising density functional for the calculation of nuclear shielding constants, Chem. Phys. Letters, 421, 383 (2006).
  

zhanhui

报告题目: Simultaneous Attenuation of Both Self-Interaction Error and Nondynamic Correlation Error in Density Functional Theory: A Spin-pair Distinctive Adiabatic-Connection Approximation
报告人: 张颖  教授（复旦大学）
时间：2019 年4月25日(星期四)，下午3:10-4:40
地点：北京大学化学楼A717会议室
主请人：蒋鸿


报告摘要：We present a spin-pair distinctive algorithm in the context of adiabatic-connection fluctuation-dissipation (ACFD) theorem [1,2], which enables to quantify the self-interaction error (SIE) and the nondynamic/strong correlation error (NCE) in the direct random-phase approximation (dRPA) [3]. Using this knowledge, we propose a spin-component scaled dRPA (scsRPA) correlation model with simultaneous attenuation of both the SIE and the NCE. Along with the exact exchange, scsRPA is shown to present a comprehensive improvement over dRPA, as well as the well-established PBE and PBE0 functionals, for bonding energies of pronounced multi-reference characters and transition-metal complexes of strongly correlated systems, while consistently provide an accurate description for reaction energies, reaction barriers, and non-covalent bond interactions of weakly correlated systems.


[1] IY Zhang et al., Phys. Rev. Lett. 117, 133002 (2016);
[2] IY Zhang and X Xu, submitted (2019);
[3] AJ Cohen et al., Chem. Rev. 112 289 (2011).


报告人简介：Dr. Igor Ying Zhang obtained his PhD degree in Chemistry from Xiamen University, China (2010) and KTH Royal institute of technology, Sweden (2011). In 2012, he joined the Fritz Haber Institute (FHI) Berlin, Germany with a Max-Planck fellowship and was then promoted to be a group leader soon. In March 2018, he moved to Department of Chemistry, Fudan University as an awardee of “the Recruitment Program for Young Professionals”. Dr. Igor Ying Zhang’s research focuses on the development of advanced first-principle electronic-structure methods towards predictive accuracy for molecules and materials. He is authored and co-authored 40 peer-reviewed papers and one Springer book with over 2600 citations and an H-index of 22 (Google Scholar, Nov. 2019).