• 研究兴趣

  • 学术任职

  • 获奖情况

  • 学习工作经历

  • 授课情况

  • 代表性论文或专著

  • 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

  • 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

  1. Book: Igor Ying Zhang, and Xin Xu*, A new generation density functional towards chemical accuracy for chemistry of main group elements, Springer, 2014.

  2. 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).

  3. 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).

  4. 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).

  5. 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).

  6. 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).

  7. 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).

  8. 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).

  9. 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).

  10. I. Y. Zhang, J. Wu, and X. Xu*, Extending the reliability and applicability of B3LYP, Chem. Comm. 46, 3057 (2010, Feature article).

  11. 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).

  12. 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).

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