Zhang Igor Ying (张颖)

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Xin XuDepartment of Chemistry, Fudan UniveristyVerifisert e-postadresse på fudan.edu.cn
Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-GesellschaftVerifisert e-postadresse på fhi-berlin.mpg.de
Xinguo RenInstitute of Physics, Chinese Academy of SciencesVerifisert e-postadresse på ustc.edu.cn
Patrick RinkeProfessor at Technical University Munich, GermanyVerifisert e-postadresse på tum.de
John P. PerdewTemple UniversityVerifisert e-postadresse på temple.edu
William A Goddard IIIProfessor Chemistry, Materials Science, Applied PhysicsVerifisert e-postadresse på caltech.edu
Tong YujinFaculty of Physics University of Duisburg-EssenVerifisert e-postadresse på uni-due.de
Volker BlumAssociate Professor, MEMS Department - Duke University, Durham, NCVerifisert e-postadresse på duke.edu
E.K.U. GrossThe Hebrew University of Jerusalem eberhard.gross'at'mail.huji.ac.ilVerifisert e-postadresse på mail.huji.ac.il
Haowei PengN/AVerifisert e-postadresse på temple.edu
Gustavo E. ScuseriaWelch Professor of Chemistry, Physics & Astronomy, and Materials Science & NanoEngineeringVerifisert e-postadresse på rice.edu
Zeng-hui YangVerifisert e-postadresse på uci.edu
Egor TrushinFAU Erlangen-NurembergVerifisert e-postadresse på fau.de
Kieron BurkeUC Irvine chemistry and physicsVerifisert e-postadresse på uci.edu
Jianwei SunAssociate Professor of Department of Physics and Engineering Physics, Tulane UniversityVerifisert e-postadresse på tulane.edu
carlo adamoENSCP - Chimie ParistechVerifisert e-postadresse på chimie-paristech.fr
Éric BrémondUniversité Paris CitéVerifisert e-postadresse på u-paris.fr
Zhe-Ning Chen（陈浙宁）Fujian Institute of Research on the Structure of Matter, Chinese Academy of SciencesVerifisert e-postadresse på fjirsm.ac.cn
Wenping GuoSynfuels ChinaVerifisert e-postadresse på sxicc.ac.cn
Matti RopoUniversity of TurkuVerifisert e-postadresse på utu.fi

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Zhang Igor Ying (张颖)

Department of Chemistry, Fudan University

Verifisert e-postadresse på fudan.edu.cn - Startside

quantum chemistry DFT WFT materials science


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Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015	3233	2015
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021	917	2021
Understanding band gaps of solids in generalized Kohn–Sham theory JP Perdew, W Yang, K Burke, Z Yang, EKU Gross, M Scheffler, ... Proceedings of the national academy of sciences 114 (11), 2801-2806, 2017	575	2017
Doubly hybrid density functional for accurate descriptions of nonbond interactions, thermochemistry, and thermochemical kinetics Y Zhang, X Xu, WA Goddard Proc. Natl. Acad. Sci. USA 106 (13), 4963-4968, 2009	417	2009
Extending the reliability and applicability of B3LYP IY Zhang, J Wu, X Xu Chemical Communications 46 (18), 3057-3070, 2010	293	2010
A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz IY Zhang, X Xu, Y Jung, WA Goddard III Proceedings of the National Academy of Sciences 108 (50), 19896-19900, 2011	180	2011
Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory AC Ihrig, J Wieferink, IY Zhang, M Ropo, X Ren, P Rinke, M Scheffler, ... New Journal of Physics 17 (9), 093020, 2015	160	2015
OPBE: A promising density functional for the calculation of nuclear shielding constants Y Zhang, AA Wu, X Xu, YJ Yan CHEMICAL PHYSICS LETTERS 421 (4-6), 383-388, 2006	154	2006
Coupled cluster theory in materials science IY Zhang, A Grüneis Frontiers in Materials 6, 123, 2019	146	2019
Doubly hybrid density functional for accurate description of thermochemistry, thermochemical kinetics and nonbonded interactions IY Zhang, X Xu International Reviews in Physical Chemistry 30 (1), 115-160, 2011	140	2011
Numeric atom-centered-orbital basis sets with valence-correlation consistency from H to Ar IY Zhang, X Ren, P Rinke, V Blum, M Scheffler New Journal of Physics 15 (12), 123033, 2013	128	2013
Doubly hybrid density functional xDH-PBE0 from a parameter-free global hybrid model PBE0 IY Zhang, NQ Su, EAG Bremond, C Adamo, X Xu The Journal of chemical physics 136 (17), 2012	128	2012
Polyvinylpyrrolidone‐Coordinated Single‐Site Platinum Catalyst Exhibits High Activity for Hydrogen Evolution Reaction C Li, Z Chen, H Yi, Y Cao, L Du, Y Hu, F Kong, R Kramer Campen, Y Gao, ... Angewandte Chemie International Edition 59 (37), 15902-15907, 2020	95	2020
Systematic studies on the computation of nuclear magnetic resonance shielding constants and chemical shifts: The density functional models A Wu, Y Zhang, Y Yan Journal of Computational Chemistry 28 (15), 2431–2442, 2007	90	2007
Geometric Dependence of the B3LYP-Predicted Magnetic Shieldings and Chemical Shifts† Y Zhang, A Wu, X Xu, Y Yan The Journal of Physical Chemistry A 111 (38), 9431-9437, 2007	80	2007
Reaching a uniform accuracy for complex molecular systems: long-range-corrected XYG3 doubly hybrid density functional IY Zhang, X Xu The Journal of Physical Chemistry Letters 4 (10), 1669-1675, 2013	77	2013
Enforcing the linear behavior of the total energy with hybrid functionals: Implications for charge transfer, interaction energies, and the random-phase approximation V Atalla, IY Zhang, OT Hofmann, X Ren, P Rinke, M Scheffler Physical Review B 94 (3), 035140, 2016	70	2016
Basis set dependence of the doubly hybrid XYG3 functional IY Zhang, Y Luo, X Xu The Journal of chemical physics 133 (10), 2010	65	2010
XYG3s: Speedup of the XYG3 fifth-rung density functional with scaling-all-correlation method IY Zhang, Y Luo, X Xu The Journal of chemical physics 132 (19), 2010	54	2010
Trends in R−X Bond Dissociation Energies (R^• = Me, Et, i-Pr, t-Bu, X^• = H, Me, Cl, OH) IY Zhang, J Wu, Y Luo, X Xu Journal of Chemical Theory and Computation 6 (5), 1462-1469, 2010	52	2010

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