Publications of Igor Ying Zhang

Journal Article (11)

2019
Journal Article
Shen, Tonghao, Zhenyu Zhu, Igor Ying Zhang and Matthias Scheffler: Massive-parallel Implementation of the Resolution-of-Identity Coupled-cluster Approaches in the Numeric Atom-centered Orbital Framework for Molecular Systems.
Journal Article
Zhang, Igor Ying, Andrew J. Logsdail, Xinguo Ren, Sergey V. Levchenko, Luca M. Ghiringhelli and Matthias Scheffler: Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: Systematic benchmark of the numerical and intrinsic errors in state-of-the-art electronic-structure approximations.
Journal Article
Zhang, Igor Ying, Gregor Zwaschka, Zhenhua Wang, Martin Wolf, R.Kramer Campen and Yujin Tong: Resolving the Chemical Identity of H2SO4 Derived Anions on Pt(111) Electrodes: They’re Sulfate.
2018
Journal Article
Tong, Yujin, Igor Ying Zhang and R.Kramer Campen: Experimentally quantifying anion polarizability at the air/water interface.
2017
Journal Article
Perdew, John P., Weitao Yang, Kieron Burke, Zenghui Yang, Eberhard K.U. Gross, Matthias Scheffler, Gustavo E. Scuseria, Thomas M. Henderson, Igor Ying Zhang, Adrienn Ruzsinszky, Haowei Peng, Jianwei Sun, Egor Trushin and Andreas Görling: Understanding band gaps of solids in generalized Kohn-Sham theory.
2016
Journal Article
Atalla, Viktor, Igor Ying Zhang, Oliver T. Hofmann, Xinguo Ren, Patrick Rinke and Matthias Scheffler: Enforcing the linear behavior of the total energy with hybrid functionals: Implications for charge transfer, interaction energies, and the random-phase approximation.
Journal Article
Zhang, Igor Ying, Patrick Rinke, John P. Perdew and Matthias Scheffler: Towards Efficient Orbital-Dependent Density Functionals for Weak and Strong Correlation.
Journal Article
Zhang, Igor Ying, Patrick Rinke and Matthias Scheffler: Wave-function inspired density functional applied to the H2/H2+ challenge.
2015
Journal Article
Ihrig, Arvid, Jürgen Wieferink, Igor Ying Zhang, Matti Ropo, Xinguo Ren, Patrick Rinke, Matthias Scheffler and Volker Blum: Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory.
Journal Article
Ruzsinszky, Adrienn, Igor Ying Zhang and Matthias Scheffler: Insight into organic reactions from the direct random phase approximation and its corrections.
2013
Journal Article
Zhang, Igor Ying, Xinguo Ren, Patrick Rinke, Volker Blum and Matthias Scheffler: Numeric atom-centered-orbital basis sets with valence-correlation consistency from H to Ar.

Talk (9)

2017
Talk
Zhang, Igor Ying: Basics and State of the Art of Quantum-Chemistry Methods for Molecules, Clusters, and Materials.
(Hands-on Workshop Density-Functional Theory and Beyond: Accuracy, Efficiency and Reproducibility in Computational Materials Science, Berlin, Germany, Jul 2017).
2016
Talk
Zhang, Igor Ying: Periodic MP2 and Coupled Cluster Theory for Numeric Atom-Centered Orbitals.
(Electronic Structure Theory with Numeric Atom-Centered Basis Functions, FHI-aims Developers' and Users' Meeting, Munich, Germany, Jul 2016).
Talk
Zhang, Igor Ying: Advanced Quantum-Chemistry Methods for Solids in the Numeric Atom-Centered Orbital Framework.
(The 1st USTC-FHI workshop on the Frontiers of Advanced Electronic Structure Methods, Hefei, China, Jun 2016).
Talk
Zhang, Igor Ying: Reaching a Uniform Accuracy for Complex Systems.
(SINO-GERMAN Workshop on Biomolecular Simulations Across Scales, Shanghai, China, May 2016).
2015
Talk
Zhang, Igor Ying: Test Sets and Benchmark Techniques for Materials Science.
(Hands-on Workshop Density-Functional Theory and Beyond: First-Principles Simulations of Molecules and Materials, Berlin, Germany, Jul 2015).
Talk
Zhang, Igor Ying: Explore Efficient Orbital-Dependent Density Functionals for a Broader Application.
(Workshop, Methods and Algorithms in Electronic-Structure Theory, Schloß Ringberg, Kreuth, Germany, Jun 2015).
Talk
Zhang, Igor Ying: Test Set for Materials Science and Engineering.
(Psi-k 2015 Conference, San Sebastian, Spain, Sep 2015).
2014
Talk
Zhang, Igor Ying: Assessment of Density Functionals in FHI-aims: Searching for the Next-generation Density Functional with a Broader Application.
(DFT and Beyond with Numeric Atom-Centered Orbitals, FHI-aims Developers' and Users' Meeting , Berlin, Germany, Aug 2014).
Talk
Zhang, Igor Ying: Toward Simple Orbital-Dependent Density Functionals for Molecular Dissociation.
(White Nights of Materials ScienceInternational Workshop, White Nights of Materials Science: From Physics and Chemistry to Data Analysis, and Back , St. Petersburg, Russia, Jun 2014).
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