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Journal of Computational Chemistry|November 18, 2015
Self-consistent field for fragmented quantum mechanical model of large molecular systemsYingdi Jin, Neil Qiang Su, Xin Xu, et al.
The Journal of Physical Chemistry Letters|March 5, 2026
Adaptive Sampling of Singularities and Long Tails for Monte Carlo Integration of Electron CorrelationMeng Yan, Ziying Yuan, Yi-Fan Yao, et al.
The Journal of Physical Chemistry. A|May 22, 2014
Fractional charge behavior and band gap predictions with the XYG3 type of doubly hybrid density functionalsNeil Qiang Su, Weitao Yang, Paula Mori-Sánchez, et al.
Journal of Computational Chemistry|August 9, 2017
Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functionalJun Chen, Neil Qiang Su, Xin Xu, et al.
Expert Opinion on Drug Delivery|August 4, 2009
Biodegradable amphiphilic polymer-drug conjugate micellesXiuli Hu, Xiabin Jing
The Journal of Physical Chemistry. A|August 11, 2022
Explicit-by-Implicit Treatment of Natural Orbital Occupations Using First- and Second-Order Optimization Algorithms: A Comparative StudyYi-Fan Yao, Zhang Zhang, Wei-Hai Fang, et al.
Journal of Chemical Theory and Computation|January 21, 2022
LibSC: Library for Scaling Correction Methods in Density Functional TheoryYuncai Mei, Jincheng Yu, Zehua Chen, et al.
The Journal of Physical Chemistry Letters|September 13, 2017
Generalized Optimized Effective Potential for Orbital Functionals and Self-Consistent Calculation of Random Phase ApproximationsYe Jin, Du Zhang, Zehua Chen, et al.
The Journal of Chemical Physics|March 2, 2015
H + H2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: validation of the density functionalsNeil Qiang Su, Jun Chen, Zhigang Sun, et al.
Journal of Chemical Theory and Computation|November 19, 2015
Double hybrid functionals and the Π-system bond length alternation challenge: rivaling accuracy of post-HF methodsMichael Wykes, Neil Qiang Su, Xin Xu, et al.
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