Cui Zhang

发表

First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals.

Giulia Galli, François Gygi, Cui Zhang, 2011, Journal of chemical theory and computation.

Blind test of density-functional-based methods on intermolecular interaction energies.

DeCarlos E. Taylor, Ireneusz W. Bulik, F. Gygi, 2016, The Journal of chemical physics.

Finite-temperature phonon dispersion and vibrational dynamics of BaTiO3 from first-principles molecular dynamics

W. Kang, Ping Zhang, Cui Zhang, 2022, Physical Review B.

A general picture for water dissociation on uranium dioxide surfaces

Bo Sun, Cui Zhang, Yu Yang, 2022, Nuclear Analysis.

Water dissociation on the reduced PuO2(110) surface from first principles

Ping Zhang, Cui Zhang, Yu Yang, 2019, Science China Physics, Mechanics & Astronomy.

Adsorption, diffusion, and limited dissociation of a single water molecule on the α-Pu2O3 (1 1 1) surface

Ping Zhang, Cui Zhang, Yu Yang, 2019, Journal of physics. Condensed matter : an Institute of Physics journal.

Combined Effects of Functional Groups, Lattice Defects, and Edges in the Infrared Spectra of Graphene Oxide

R. Car, I. Aksay, A. Selloni, 2015 .

Dissociation Mechanism of Water Molecules on the PuO2(110) Surface: An Ab Initio Molecular Dynamics Study

Ping Zhang, Cui Zhang, Yu Yang, 2018 .

A Multitechnique Study of CO Adsorption on the TiO2 Anatase (101) Surface

U. Diebold, A. Selloni, C. Wöll, 2015 .

Dipolar correlations in liquid water.

G. Galli, Cui Zhang, 2014, The Journal of chemical physics.

Strongly Anisotropic Dielectric Relaxation of Water at the Nanoscale

Francois Gygi, Giulia Galli, Cui Zhang, 2013 .

First-Principle Analysis of the IR Stretching Band of Liquid Water

G. Galli, D. Donadio, Cui Zhang, 2010 .

Structural and electronic properties of aqueous NaCl solutions from ab initio molecular dynamics simulations with hybrid density functionals

Francois Gygi, Giulia Galli, Cui Zhang, 2014 .

First-principles study of the infrared spectrum in liquid water from a systematically improved description of H-bond network

Mohan Chen, Xifan Wu, Cui Zhang, 2019, Physical Review B.

Finite-temperature infrared and Raman spectra of high-pressure hydrogen from first-principles molecular dynamics

W. Kang, Cangli Liu, Mohan Chen, 2018, Physical Review B.

Communication: electronic structure of the solvated chloride anion from first principles molecular dynamics.

F. Gygi, G. Galli, T. Pham, 2013, The Journal of chemical physics.

Entropy of liquid water from ab initio molecular dynamics.

G. Galli, Cui Zhang, L. Spanu, 2011, The journal of physical chemistry. B.

Structural and Vibrational Properties of Liquid Water from van der Waals Density Functionals.

F. Gygi, G. Galli, Cui Zhang, 2011, Journal of chemical theory and computation.