| 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 | 58 | 2021 |
| 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 | 50 | 2019 |
| 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 | 32 | 2019 |
| 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 | 31 | 2020 |
| 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 | 28 | 2020 |
| 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 | 25 | 2020 |
| 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 | 16 | 2021 |
| 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), 2019 | 15 | 2019 |
| 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 | 15 | 2018 |
| 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 | 7 | 2020 |
| 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 | 6 | 2021 |
| 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 | 6 | 2020 |
| 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), 2022 | 3 | 2022 |
| First-Principles Approach for Coupled Quantum Dynamics of Electrons and Protons in Heterogeneous Systems J Xu, R Zhou, V Blum, TE Li, S Hammes-Schiffer, Y Kanai Physical Review Letters 131 (23), 238002, 2023 | 2 | 2023 |
| Real-Time Time-Dependent Density Functional Theory for Simulating Nonequilibrium Electron Dynamics J Xu, TE Carney, R Zhou, C Shepard, Y Kanai Journal of the American Chemical Society, 2024 | 1 | 2024 |
| Theory of moment propagation for quantum dynamics in single-particle description NJ Boyer, C Shepard, R Zhou, J Xu, Y Kanai The Journal of Chemical Physics 160 (6), 2024 | | 2024 |
Xifan WuProfessor of Physics, Temple UniversityVerified email at temple.edu
