Zhaoru Sun


Zhaoru Sun    Assistant Professor, PI
InstituteSchool of Physical Science and Technology
Research AreaComputational Physics, MD, Water and Soft Matter
Contact Info.sunzhr@@shanghaitech.edu.cn

2005.9-2009.7,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




We aim at bridging novel dynamics, phase transformation and spectrum to microscopic molecular structure and electronic structure of materials especially soft condensed systems using computational methods and theory. Topic of interests: assembling and novel quantum states at surface and interface; hydrogen bond network in solutions, X-ray spectral modeling, phase behavior of water at biophysical, chemical environment.

We highly welcome students and postdoctoral fellows who are interested in our research. Applicants who are self-motivated and majored in one of the following areas: Computational Physics, Computational Chemistry, Biophysics, Theoretical Physics are encouraged to contact Dr. Zhaoru Sun.


Selected Publications

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.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).


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