孙兆茹

本课题组致力于推动 AI for Science 在水和溶体系中的应用，研究兴趣包括溶液中的反应、离子特异性、质子传输等，以及物理机制驱动的抗冻蛋白材料设计。

Our research group is committed to advancing AI for Science in aqueous systems, with research interests encompassing solution-phase reactions, ion specificity, proton transport, and physics-informed antifreeze protein materials design.

欢迎具有物理、化学或物理化学背景的本科生加入。

Undergraduates with backgrounds in Physics, Chemistry, or Physical Chemistry are particularly welcome to join.

关于PI： https://orcid.org/0000-0002-2092-9779

Yueqi Zhao, Feifei Tian, Zhaoru Sun*. Ab initio deep neural network simulations reveal that carbonic acid dissociation is dominated by minority cis-trans conformers. Sci. Adv. 11, eadu6525 (2025)

Weiwen Pu, Zhaoru Sun*. Synergistic Effects of Confinement Size and Interface on the anomalous ultrafast transport in nanofluidics. Comm. Phys. 8, 167 (2025)

Weiwen Pu, Zhaoru Sun*. Atomic insights into the ion-conducting channels of poly(arylene piperidinium) anion exchange membranes. Phys. Chem. Chem. Phys., 27, 4634（2025）

Liaoyu Cong, Wentao Yang, Zhaoru Sun*. Cooperative Role of Conformation and Ice-Binding Groups in Ice Growth Inhibition of Antifreeze Glycoproteins. Langmuir, 41, 663−670（2025）

Weiyu Li; Zhaoru Sun*. Second Hydration Shell of Mg2+: Competition between Ion–Water Interaction and Hydrogen Bonding Interaction. J. Phys. Chem. Lett. 16, 503 (2025)

Xiaoqian Liu, Ran Peng, Zhaoru Sun*, Jianpeng Liu*. Moire phonons in magic-angle twisted bilayer graphene. Nano Lett. 22, 7791 (2022)

Xujie Zhu, Yanan Liu, Weiwen Pu,Fang-Zi Liu, Zhijie Xue, Zhaoru Sun*, KaKing Yan*, and Ping Yu*. On-Surface Synthesis of C144 Hexagonal Coronoid with Zigzag Edges. ACS Nano 16, 10600 (2022).

Shaojie Chen, Zhiwei Nie, Feifei Tian, Lu Nie, Ran Wei, Jiameng Yu, Tianyi Gao, Zhaoru Sun*, Nan Yang*,and Wei Liu*. The influence of surface chemistry on critical current density for garnet electrolyte.  Adv. Funct. Mater. 32, 2113318 (2022).

Congcong Wu, Jun Peng, Weiwen Pu, Shengnan Lu, Chao Zhang, Nan Wu, Zhaoru Sun, Hongti Zhang, Hung-Ta Wang*. Elastic Properties of High-Symmetry Sb4O6Cage-Molecular Crystal. J. Phys. Chem. Lett. 12, 9011 (2021)

Jun Peng, Weiwen Pu, Shengnan Lu, Xianzhong Yang, Congcong Wu, Nan Wu, Zhaoru Sun*, and Hung-Ta Wang*. Inorganic Low k Cage-molecular Crystals Nano Lett. 21, 203 (2020).

Jianhang Xu, Zhaoru Sun, Chunyi Zhang, Mark DelloStritto, Deyu Lu,  Michael L. Klein, and Xifan Wu*, Importance of nuclear quantum effects on the hydration of chloride ion. Physical Review Materials  5, L012801 (2021).

Qingyang Du, Weiwen Pu, Zhaoru Sun*, and Ping Yu*. 'On-Surface Synthesis of All-Cis Standing Phenanthrene Polymers upon Selective C-H Bond Activation' J. Phys. Chem. Lett. 11, 5022 (2020).

Zhaoru Sun, Lixin Zheng, Mohan Chen, Michael L. Klein, Francesco Paesani, Xifan Wu. Electron-hole theory of the effect of quantum nuclei on the X-ray absorption spectra of liquid water. Phys. Rev. Lett. 121,137401 (2018).

Lixin Zheng, Mohan Chen, Zhaoru Sun, Hsin-Yu Ko, Biswajit Santra, Pratikkumar Dhuvad, Xifan Wu. Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble. J. Chem. Phys. 148, 164505 (2018).

Huaze Shen, Mohan Chen, Zhaoru Sun, Limei Xu, Xifan Wu. Signature of hydrogen-bonded environment of liquid water in X-ray emission spectra by first-principles calculations. Front. Phys. 13, 138204 (2018).

Zhaoru Sun, Mohan Chen, Lixin Zheng, Jianping Wang, Biswajit Santra, Huaze Shen, Limei Xu, Wei Kang, Michael L. Klein, Xifan Wu. X-ray absorption of liquid water by advanced ab initio methods. Phys. Rev. B 96, 104202 (2017).

Jianwei Sun, Richard C. Remsing, Yubo Zhang, Zhaoru Sun, Adrienn Ruzsinszky, Haowei Peng, Zenghui Yang, Arpita Paul, Umesh Waghmare, Xifan Wu, Michael L. Klein, John P. Perdew. Accurate firstprinciples structures and energies of diversely bonded systems from an efficient density functional. Nature Chemistry, 8, 831 (2016).

Zhaoru Sun, Gang Sun, Yixuan Chen, Limei Xu. Liquid-liquid phase transition in water. Invited review on SCIENCE CHINA Physics, Mechanics & Astronomy. 5 (2014).

Meng Cheng, Duoming Wang, Zhaoru Sun (co-first author), Limei Xu, Enge Wang, Guangyu Zhang. A Route towards digital Manipulation of Water Nanodroplets on Surface. ACS Nano, 8, 3955 (2014).

Zhaoru Sun, Ding Pan, Limei Xu, Enge Wang. Role of proton ordering in adsorption preference of polar molecule on ice surface. Proc. Natl. Acad. Sci. 109, 13177 (2012).