Publications of Igor Ying Zhang
All genres
Journal Article (11)
2019
Journal Article
Shen, Tonghao, , 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, , , 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, , 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
Matthias Scheffler, , , Igor Ying Zhang, , , , and : , , , , 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, 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
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).