| Lattice-polarity-driven epitaxy of hexagonal semiconductor nanowires P Wang, Y Yuan, C Zhao, X Wang, X Zheng, X Rong, T Wang, B Sheng, ... Nano letters 16 (2), 1328-1334, 2016 | 37 | 2016 |
| Hydrogen-bond symmetrization of δ-AlOOH D Kang, YX Feng, Y Yuan, QJ Ye, F Zhu, HY Huo, XZ Li, X Wu Chinese Physics Letters 34 (10), 108301, 2017 | 12 | 2017 |
| A comparison of three DFT exchange–correlation functionals and two basis sets for the prediction of the conformation distribution of hydrated polyglycine Y Yuan, F Wang The Journal of Chemical Physics 155 (9), 2021 | 8 | 2021 |
| Development and Validation of a DFT-Based Force Field for a Hydrated Homoalanine Polypeptide Y Yuan, Z Ma, F Wang The Journal of Physical Chemistry B 125 (6), 1568-1581, 2021 | 8 | 2021 |
| Leveraging local MP2 to reduce basis set superposition errors: An efficient first-principles based force-field for carbon dioxide Y Yuan, Z Ma, F Wang The Journal of Chemical Physics 151 (18), 2019 | 6 | 2019 |
| The strengths and limitations of effective centroid force models explored by studying isotopic effects in liquid water Y Yuan, J Li, XZ Li, F Wang The Journal of Chemical Physics 148 (18), 2018 | 5 | 2018 |
| Structural determination of argon trimer X Xie, C Wu, Y Yuan, XZ Li, C Wu, P Wang, Y Deng, Y Liu, Q Gong AIP Advances 5 (9), 2015 | 4 | 2015 |
| Dipole Cooperativity and Polarization Frustration Determine the Secondary Structure Distribution of Short Alanine Peptides in Water Y Yuan, F Wang The Journal of Physical Chemistry B 127 (14), 3126-3138, 2023 | 3 | 2023 |
| Determining the hydration free energies of selected small molecules with MP2 and local MP2 through adaptive force matching D Zheng, Y Yuan, F Wang The Journal of Chemical Physics 154 (10), 2021 | 3 | 2021 |
| Fragmentation Method for Computing Quantum Mechanics and Molecular Mechanics Gradients for Force Matching: Validation with Hydration Free Energy Predictions Using Adaptive … D Zheng, Y Yuan, F Wang The Journal of Physical Chemistry A 126 (16), 2609-2617, 2022 | 1 | 2022 |
| Superconducting transition temperatures of metallic liquids H Liu, Y Yuan, D Liu, XZ Li, J Shi Physical Review Research 2 (1), 013340, 2020 | 1 | 2020 |
