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Jianhang Xu
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Accessing the accuracy of density functional theory through structure and dynamics of the water–air interface
T Ohto, M Dodia, J Xu, S Imoto, F Tang, F Zysk, TD Kühne, Y Shigeta, ...
The journal of physical chemistry letters 10 (17), 4914-4919, 2019
322019
Modeling liquid water by climbing up Jacob’s ladder in density functional theory facilitated by using deep neural network potentials
C Zhang, F Tang, M Chen, J Xu, L Zhang, DY Qiu, JP Perdew, ML Klein, ...
The Journal of Physical Chemistry B 125 (41), 11444-11456, 2021
262021
First-principles study of the infrared spectrum in liquid water from a systematically improved description of H-bond network
J Xu, M Chen, C Zhang, X Wu
Physical Review B 99 (20), 205123, 2019
232019
Aqueous solvation of the chloride ion revisited with density functional theory: impact of correlation and exchange approximations
M DelloStritto, J Xu, X Wu, ML Klein
Physical Chemistry Chemical Physics 22 (19), 10666-10675, 2020
202020
Stabilization of hydroxide ions at the interface of a hydrophobic monolayer on water via reduced proton transfer
S Yang, M Chen, Y Su, J Xu, X Wu, C Tian
Physical Review Letters 125 (15), 156803, 2020
172020
Isotope effects in molecular structures and electronic properties of liquid water via deep potential molecular dynamics based on the SCAN functional
J Xu, C Zhang, L Zhang, M Chen, B Santra, X Wu
Physical Review B 102 (21), 214113, 2020
162020
Importance of van der Waals effects on the hydration of metal ions from the Hofmeister series
L Zhou, J Xu, L Xu, X Wu
The Journal of Chemical Physics 150 (12), 124505, 2019
132019
Effective Synthesis of Pb5S2I6 Crystals at Low Temperature for Fabrication of a High Performance Photodetector
H Wang, G Chen, J Xu, Y Xu, Q Yang
Crystal Growth & Design 18 (4), 1987-1994, 2018
112018
Importance of nuclear quantum effects on the hydration of chloride ion
J Xu, Z Sun, C Zhang, M DelloStritto, D Lu, ML Klein, X Wu
Physical Review Materials 5 (1), L012801, 2021
92021
Isotope effects in x-ray absorption spectra of liquid water
C Zhang, L Zhang, J Xu, F Tang, B Santra, X Wu
Physical Review B 102 (11), 115155, 2020
52020
Nuclear quantum effects on the quasiparticle properties of the chloride anion aqueous solution within the GW approximation
F Tang, J Xu, DY Qiu, X Wu
Physical Review B 104 (3), 035117, 2021
42021
Probing ferroelectricity by x-ray absorption spectroscopy in molecular crystals
F Tang, X Jiang, HY Ko, J Xu, M Topsakal, G Hao, PA Dowben, D Lu, ...
Physical Review Materials 4 (3), 034401, 2020
12020
Nuclear–electronic orbital approach to quantization of protons in periodic electronic structure calculations
J Xu, R Zhou, Z Tao, C Malbon, V Blum, S Hammes-Schiffer, Y Kanai
The Journal of Chemical Physics 156 (22), 224111, 2022
2022
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