Get started
Author

Zezhu Zeng

Observed name: Zeng, Zezhu
ORCID: 0000-0001-5126-4928
Observed ORCID: 0000-0001-5126-4928
OpenAlex ID: A5101673085
Neuroevolution machine learning potentials: Combining high accuracy and low cost in atomistic simulations and application to heat transport
2021 · Zheyong Fan, Zezhu Zeng, et al. · Physical review. B./Physical review. B · 590
PDF
GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations
2022 · Zheyong Fan, Yanzhou Wang, et al. · The Journal of Chemical Physics · 531
PDF
General-purpose machine-learned potential for 16 elemental metals and their alloys
2024 · Keke Song, Rui Zhao, et al. · Nature Communications · 267
GPUMD 4.0: A high‐performance molecular dynamics package for versatile materials simulations with machine‐learned potentials
2025 · Ke Xu, Hekai Bu, et al. · Materials Genome Engineering Advances · 144
Thermoelectric Enhancements in PbTe Alloys Due to Dislocation‐Induced Strains and Converged Bands
2020 · Yixuan Wu, Pengfei Nan, et al. · Advanced Science · 140
PDF
Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials
2024 · Haikuan Dong, Yongbo Shi, et al. · Journal of Applied Physics · 115
PDF
Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations
2023 · Zezhu Zeng, Felix Wodaczek, et al. · Nature Communications · 95
PDF
Leveraging bipolar effect to enhance transverse thermoelectricity in semimetal Mg2Pb for cryogenic heat pumping
2021 · Zhiwei Chen, Xinyue Zhang, et al. · Nature Communications · 71
PDF
Pushing thermal conductivity to its lower limit in crystals with simple structures
2024 · Zezhu Zeng, Xingchen Shen, et al. · Nature Communications · 59
PDF
Revisiting phonon transport in perovskite SrTiO3 : Anharmonic phonon renormalization and four-phonon scattering
2021 · Qi Wang, Zezhu Zeng, et al. · Physical review. B./Physical review. B · 48
Nonperturbative phonon scatterings and the two-channel thermal transport in Tl3VSe4
2021 · Zezhu Zeng, Cunzhi Zhang, et al. · Physical review. B./Physical review. B · 43
PDF
Critical phonon frequency renormalization and dual phonon coexistence in layered Ruddlesden-Popper inorganic perovskites
2022 · Zezhu Zeng, Chen Chen, et al. · Physical review. B./Physical review. B · 38
Ultralow lattice thermal conductivity enables high thermoelectric performance in BaAg2Te2 alloys
2021 · Jing Tang, Cheng Qin, et al. · Materials Today Physics · 37
Ultralow and glass-like lattice thermal conductivity in crystalline BaAg2Te2: Strong fourth-order anharmonicity and crucial diffusive thermal transport
2021 · Zezhu Zeng, Cunzhi Zhang, et al. · Materials Today Physics · 37
Soft-mode dynamics in the ferroelectric phase transition of GeTe
2021 · Chen Wang, Jiangtao Wu, et al. · npj Computational Materials · 35
PDF
Manipulation of Band Degeneracy and Lattice Strain for Extraordinary PbTe Thermoelectrics
2020 · Yixuan Wu, Pengfei Nan, et al. · Research · 33
PDF
Lattice dynamics and thermal transport of PbTe under high pressure
2023 · Ruihuan Cheng, Xingchen Shen, et al. · Physical review. B./Physical review. B · 25
Impact of strain-insensitive low-frequency phonon modes on lattice thermal transport in A2XB6 -type perovskites
2024 · Ruihuan Cheng, Zezhu Zeng, et al. · Physical review. B./Physical review. B · 23
PDF
Role of high-order lattice anharmonicity in the phonon thermal transport of silver halide AgX (X=Cl,Br,I)
2023 · Niuchang Ouyang, Zezhu Zeng, et al. · Physical review. B./Physical review. B · 22
Anharmonic lattice dynamics and thermal transport of monolayer InSe under equibiaxial tensile strains
2020 · Zezhu Zeng, Shasha Li, et al. · Journal of Physics Condensed Matter · 19
Lattice distortion leads to glassy thermal transport in crystalline Cs 3 Bi 2 I 6 Cl 3
2025 · Zezhu Zeng, Zheyong Fan, et al. · Proceedings of the National Academy of Sciences · 14
B-Site Columnar-Ordered Halide Double Perovskites: Breaking Octahedra Motions Induces Strong Lattice Anharmonicity and Thermal Anisotropy
2023 · Qi Wang, Zezhu Zeng, et al. · Chemistry of Materials · 14
Ion-modulated structure, proton transfer, and capacitance in the Pt-water electric double layer
2026 · Xiaoyu Wang, Junmin Chen, et al. · npj Computational Materials · 13
Extreme in-plane phonon blocking in simple chainlike crystals
2022 · Zezhu Zeng, Cunzhi Zhang, et al. · Physical review. B./Physical review. B · 9
Anharmonic lattice dynamics of SnS across phase transition: A study using high-dimensional neural network potential
2021 · Niuchang Ouyang, Chen Wang, et al. · Applied Physics Letters · 9
Works count: 46
Citation count: 2,460
H-index: 19
I10-index: 23
Year
Topic
Type