Yizhou Zhu

Westlake University — China

Engineering · Physical Sciences

27h-index10.5kcitations68works8.92yr avg
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Research Topics

Advancements in Battery Materials(39), Advanced Battery Materials and Technologies(37), Advanced Battery Technologies Research(15), Thermal Expansion and Ionic Conductivity(11), Machine Learning in Materials Science(9)

Publications68 total

Equivariant diffusion solution for inorganic crystal structure determination from powder X-ray diffraction data
Nature Communications·2026Open Access
Improving Robustness and Training Efficiency of Machine-Learned Potentials by Incorporating Short-Range Empirical Potentials
Journal of Chemical Information and Modeling·2026
qNEP: A highly efficient neuroevolution potential with dynamic charges for large-scale atomistic simulations
arXiv (Cornell University)·2026Open Access
qNEP: A highly efficient neuroevolution potential with dynamic charges for large-scale atomistic simulations
ArXiv.org·2026Open Access
Data and models supporting "qNEP: A highly efficient neuroevolution potential with dynamic charges for large-scale atomistic simulations"
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Data and models supporting "qNEP: A highly efficient neuroevolution potential with dynamic charges for large-scale atomistic simulations"
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Suppressing solvent adducts via coordination competition enables scalable perovskite photovoltaics
Nature Communications·2026Open Access
Insights into the Role of Fluoride Impurities in Direct Regeneration of Ni-Rich Layered Cathodes
ACS Sustainable Chemistry & Engineering·2025· 2 cited
Elucidating Anisotropic Ionic Diffusion Mechanism in Li <sub>3</sub> YCl <sub>6</sub> with Molecular Dynamics Simulations
ECS Meeting Abstracts·2025
Automated phase mapping of high-throughput X-ray diffraction data encoded with domain-specific materials science knowledge
npj Computational Materials·2025Open Access
Tailored Ordering Enables High‐Capacity Cathode Materials
Advanced Energy Materials·2025Open Access
Probing the heterogeneous nature of LiF in solid–electrolyte interphases
Nature·2025· 16 cited
Unveiling phase evolution of complex oxides toward precise solid-state synthesis
Science Advances·2025· 9 citedOpen Access
Rational Design of High‐Entropy Garnet Electrolytes via Computational Screening for Stable Lithium Interfaces in All‐Solid‐State Batteries
Advanced Materials·2025· 12 citedOpen Access
Stabilizing Halide Electrolytes against Lithium Metal with a Self-Limiting Layer for All-Solid-State Lithium Metal Batteries
ACS Nano·2025· 15 cited
Advanced High-Entropy Halide Solid Electrolytes Enabling High-Voltage, Long-Cycling All-Solid-State Batteries
Nano Letters·2025· 33 cited
Li2ZrF6 protective layer enabled high-voltage LiCoO2 positive electrode in sulfide all-solid-state batteries
Nature Communications·2025· 26 citedOpen Access
Utilizing symmetry operations for high-throughput ferroelectric materials discovery
Journal of Materials Chemistry A·2025· 1 cited
Impact of Lithium Nonstoichiometry on Ionic Diffusion in Tetragonal Garnet-Type Li<sub>7</sub>La<sub>3</sub>Zr<sub>2</sub>O<sub>12</sub>
Chemistry of Materials·2024· 18 cited
High Configuration Entropy Promises Electrochemical Stability of Chloride Electrolytes for High‐Energy, Long‐Life All‐Solid‐State Batteries
Angewandte Chemie International Edition·2024· 25 cited
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Frequent Co-authors

Yifei Mo(24), Xingfeng He(10), Dongfang Yu(6), Jiayu Wan(6), Eric D. Wachsman(5), Qiang Bai(5), Dong Su(5), Zihan Yan(5), Kun Fu(4), Yunhui Gong(4), Liangbing Hu(4), Christopher Wolverton(4), Daxian Zuo(4), Zhewen Zhu(4), Fudong Han(3), Chunsheng Wang(3), Boyang Liu(3), Yonggang Yao(3), Wei Luo(3), Chengwei Wang(3)