Publications

We foster an active and innovative culture within our research group.

Featured Publications

Active learning of effective Hamiltonian for super-large-scale atomic structures

NPJ Computational Materials 11 (1), 70​

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Spontaneous curvature in two-dimensional van der Waals heterostructures

Nature Communications 16 (1), 717

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Developing fatigue-resistant ferroelectrics using interlayer sliding switching

Science 385 (6704), 57-62

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Switching Two-Dimensional Sliding Ferroelectrics by Mechanical Bending

Physical Review Letter, 134(7):076101

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Ferroelastic TwinWall-Mediated Ferroelectriclike Behavior and Bulk Photovoltaic Effect in SrTiO3

Physical Review Letters , 132 (17): 176801

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Ultrafast switching dynamics of the ferroelectric order in stacking-engineered ferroelectrics

Acta Materialia, 262:119416

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SELECTED PUBLICATIONS​

2025

Active learning of effective Hamiltonian for super-large-scale atomic structures.

Xingyue Ma, Hongying Chen, Ri He, Zhanbo Yu,Sergei Prokhorenko, Zheng Wen, Zhicheng Zhong, Jorge Íñiguez-González, L. Bellaiche, Di Wu & Yurong Yang 

NPJ Computational Materials 11 (1), 70​

Soliton-like domain wall motion in sliding ferroelectrics with ultralow damping

Yubai Shi, Yuxiang Gao, Hua Wang, Bingwen Zhang, Zhicheng Zhong, Ri He

Physical Review B 112 (3), 035421

Spontaneous curvature in two-dimensional van der Waals heterostructures

Yuxiang Gao, Fenglin Deng, Ri He, Zhicheng Zhong

Nature Communications 16 (1), 717

Switching two-dimensional sliding ferroelectrics by mechanical bending

Ri He, Hua Wang, Fenglin Deng, Yuxiang Gao, Bingwen Zhang, Yubai Shi, Run-Wei Li, Zhicheng Zhong

Physical Review Letters 134 (7), 076101

Atomic-scale imaging of frequency-dependent phonon anisotropy

Xingxu Yan, Paul M Zeiger, Yifeng Huang, Haoying Sun, Jie Li, Chaitanya A Gadre, Hongbin Yang, Ri He, Toshihiro Aoki, Zhicheng Zhong, Yuefeng Nie, Ruqian Wu, Ján Rusz, Xiaoqing Pan

Nature, 1-7

A pre-trained deep potential model for sulfide solid electrolytes with broad coverage and high accuracy

Ruoyu Wang, Mingyu Guo, Yuxiang Gao, Xiaoxu Wang, Yuzhi Zhang, Bin Deng, Mengchao Shi, Linfeng Zhang, Zhicheng Zhong

npj Computational Materials 11 (1), 266

PFD: Automatically Generating Machine Learning Force Fields from Universal Models

Ruoyu Wang, Yuxiang Gao, Hongyu Wu, Zhicheng Zhong

arXiv preprint arXiv:2502.20809

Defect Engineering for Tailoring Lithium-Ion Conduction in Layered Antiperovskite Li₇O₂Br₃ Solid-State Electrolytes Using a Machine-Learning Potential

Jiajia Liu, Yuxiang Gao, Zhicheng Zhong

Journal of Alloys and Compounds, 184679

Navigating the Unknown: Discovering Minimum Free Energy Pathways without Predefined End States

Zhicheng Zhong, Qian Wang

Journal of Chemical Theory and Computation 21 (19), 9943-9954

Domain and switching dynamics in antiferroelectric PbZrO3: Machine learning molecular dynamics simulation

Yubai Shi, Ruoyu Wang, Zhicheng Zhong, Yao Wu, Shi Liu, Liang Si, Ri He

Materials Genome Engineering Advances, e70012

2024

Ultrafast switching dynamics of the ferroelectric order in stacking-engineered ferroelectrics

Ri He, Bingwen Zhang, Hua Wang, Lei Li, Ping Tang, Gerrit Bauer, Zhicheng Zhong

Acta Materialia 262, 119416

Vision transformer neural quantum states for impurity models

Xiaodong Cao, Zhicheng Zhong, Yi Lu

arXiv preprint arXiv:2408.13050

Developing fatigue-resistant ferroelectrics using interlayer sliding switching

Renji Bian, Ri He, Er Pan, Zefen Li, Guiming Cao, Peng Meng, Jiangang Chen, Qing Liu, Zhicheng Zhong, Wenwu Li, Fucai Liu

Science 385 (6704), 57-62

Sliding Flexoelectricity in Two-Dimensional van der Waals Systems

Ri He, Hua Wang, Fenglin Deng, Yuxiang Gao, Binwen Zhang, Yubai Shi, Run-Wei Li, Zhicheng Zhong

arXiv preprint arXiv:2408.00445

Compositional ordering driven morphotropic phase boundary in ferroelectric solid solutions

Yubai Shi, Yifan Shan, Hongyu Wu, Zhicheng Zhong, Run-Wei Li, Ri He

Physical Review B 110 (5), 054102

Revisiting the phase diagram and piezoelectricity of lead zirconate titanate from first principles

Yubai Shi, Ri He, Bingwen Zhang, Zhicheng Zhong

Physical Review B 109 (17), 174104

Ferroelastic twin-wall-mediated ferroelectriclike behavior and bulk photovoltaic effect in     SrTiO 3

Ri He, Haowei Xu, Peijun Yang, Kai Chang, Hua Wang, Zhicheng Zhong

Physical Review Letters 132 (17), 176801

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*: These authors contributed equally to this study and share the first authorship.
#: Co-corresponding author.