Zhaoru Sun

Zhaoru Sun Assistant Professor, PI

Institute	School of Physical Science and Technology
Research Area	Computational Physics, MD, Water and Soft Matter
Contact Info.	sunzhr@@shanghaitech.edu.cn

Biography

match2005.9-2009.7，B.S. in Physics, Shandong University
2009.9-2014.7，Ph.D in Condensed matter physics, ICQM, Peking University
2014.11-2018.7，Postdoc, Temple University
2018.9-now，Assistant Professor、PI, ShanghaiTech University

Research Interests

Complex system: water, solution, confined and interfacial water; anti-freeze protein modeling and design; twisted 2D material

Methods: deep potential molecular dynamics, density functional theory, XAS modeling

Selected Publications

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" Phys. Rev. Materials (2020).

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).

Group Members

2020-2021

2022

2023

2024

2024 CPS Fall Meeting