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 | 60 | 2021 |
Dissolving salt is not equivalent to applying a pressure on water C Zhang, S Yue, AZ Panagiotopoulos, ML Klein, X Wu Nature Communications 13 (822), 2022 | 57 | 2022 |
Nano-architected metamaterials: Carbon nanotube-based nanotrusses C Zhang, A Akbarzadeh, W Kang, J Wang, A Mirabolghasemi Carbon 131, 38-46, 2018 | 37 | 2018 |
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 | 35 | 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 | 18 | 2021 |
Many-body effects in the X-ray absorption spectra of liquid water F Tang, Z Li, C Zhang, SG Louie, R Car, DY Qiu, X Wu Proceedings of the National Academy of Sciences 119 (20), e2201258119, 2022 | 16 | 2022 |
Finite-temperature infrared and Raman spectra of high-pressure hydrogen from first-principles molecular dynamics C Zhang, C Zhang, M Chen, W Kang, Z Gu, J Zhao, C Liu, C Sun, P Zhang Physical Review B 98 (14), 144301, 2018 | 16 | 2018 |
Structural and dynamic properties of solvated hydroxide and hydronium ions in water from ab initio modeling R Liu, C Zhang, X Liang, J Liu, X Wu, M Chen The Journal of Chemical Physics 157 (2), 2022 | 12 | 2022 |
Why Dissolving Salt in Water Decreases Its Dielectric Permittivity C Zhang, S Yue, AZ Panagiotopoulos, ML Klein, X Wu Physical Review Letters 131 (7), 076801, 2023 | 11 | 2023 |
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 | 11 | 2020 |
DeePKS+ ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials W Li, Q Ou, Y Chen, Y Cao, R Liu, C Zhang, D Zheng, C Cai, X Wu, ... The Journal of Physical Chemistry A 126 (49), 9154-9164, 2022 | 7 | 2022 |
Thermal conductance of one-dimensional materials calculated with typical lattice models C Zhang, W Kang, J Wang Physical Review E 94 (5), 052131, 2016 | 7 | 2016 |
Finite-temperature phonon dispersion and vibrational dynamics of from first-principles molecular dynamics X Zhang, C Zhang, C Zhang, P Zhang, W Kang Physical Review B 105 (1), 014304, 2022 | 3 | 2022 |
Electrical double layer and capacitance of TiO2 electrolyte interfaces from first principles simulations C Zhang, MC Andrade, ZK Goldsmith, AS Raman, Y Li, P Piaggi, X Wu, ... arXiv preprint arXiv:2404.00167, 2024 | | 2024 |
Assessing the Accuracy of Various Exchange-Correlation Functionals in Capturing Nuclear Quantum Effects on the Melting Point of Ice Ih Y Li, B Yang, C Zhang, R Car Bulletin of the American Physical Society, 2024 | | 2024 |
A molecular-scale picture of the electrical double layer at TiO2-electrolyte interfaces C Zhang, M Andrade, Z Goldsmith, A Raman, Y Li, P Piaggi, X Wu, ... Bulletin of the American Physical Society, 2024 | | 2024 |
Origin of the dielectric decrement of salt water C Zhang, S Yue, A Panagiotopoulos, M Klein, X Wu Bulletin of the American Physical Society, 2023 | | 2023 |
Accurate path-integral molecular dynamics calculation of aluminum with improved empirical ionic potentials Z Yan, C Zhang, X Liu, Q Miao, M Fang, W Kang Physical Review B 106 (17), 174107, 2022 | | 2022 |
First-Principles Calculations of Optical Spectra in Liquid Water using GW plus Bethe-Salpeter Equation approach F Tang, Z Li, C Zhang, D Qiu, X Wu APS March Meeting Abstracts 2022, N46. 011, 2022 | | 2022 |
Structural insights into sodium chloride solutions from state-of-the-art neural network potentials C Zhang, S Yue, A Panagiotopoulos, M Klein, X Wu APS March Meeting Abstracts 2022, W49. 009, 2022 | | 2022 |