Zezhu Zeng
6 Publications
2025 | Epub ahead of print | Journal Article | IST-REx-ID: 20011 | 
Zeng, Z., Liang, X., Fan, Z., Chen, Y., Simoncelli, M., & Cheng, B. (2025). Thermal transport of amorphous hafnia across the glass transition. ACS Materials Letters. American Chemical Society. https://doi.org/10.1021/acsmaterialslett.5c00263
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2024 | Published | Journal Article | IST-REx-ID: 15359 |
Dong, H., Shi, Y., Ying, P., Xu, K., Liang, T., Wang, Y., … Fan, Z. (2024). Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials. Journal of Applied Physics. AIP Publishing. https://doi.org/10.1063/5.0200833
[Preprint]
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2024 | Published | Journal Article | IST-REx-ID: 15052
Cheng, R., Zeng, Z., Wang, C., Ouyang, N., & Chen, Y. (2024). Impact of strain-insensitive low-frequency phonon modes on lattice thermal transport in AxXB6-type perovskites. Physical Review B. American Physical Society. https://doi.org/10.1103/physrevb.109.054305
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2024 | Published | Journal Article | IST-REx-ID: 15311 |
Zeng, Z., Shen, X., Cheng, R., Perez, O., Ouyang, N., Fan, Z., … Chen, Y. (2024). Pushing thermal conductivity to its lower limit in crystals with simple structures. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-024-46799-3
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| PubMed | Europe PMC
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2023 | Published | Journal Article | IST-REx-ID: 14425 |
Zeng, Z., Wodaczek, F., Liu, K., Stein, F., Hutter, J., Chen, J., & Cheng, B. (2023). Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-023-41865-8
[Published Version]
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| WoS
| PubMed | Europe PMC
| arXiv
2023 | Published | Journal Article | IST-REx-ID: 14605
Ouyang, N., Zeng, Z., Wang, C., Wang, Q., & Chen, Y. (2023). Role of high-order lattice anharmonicity in the phonon thermal transport of silver halide AgX (X=Cl,Br, I). Physical Review B. American Physical Society. https://doi.org/10.1103/PhysRevB.108.174302
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Grants
6 Publications
2025 | Epub ahead of print | Journal Article | IST-REx-ID: 20011 |
Zeng, Z., Liang, X., Fan, Z., Chen, Y., Simoncelli, M., & Cheng, B. (2025). Thermal transport of amorphous hafnia across the glass transition. ACS Materials Letters. American Chemical Society. https://doi.org/10.1021/acsmaterialslett.5c00263
[Published Version]
View
| DOI
| Download Published Version (ext.)
2024 | Published | Journal Article | IST-REx-ID: 15359 |
Dong, H., Shi, Y., Ying, P., Xu, K., Liang, T., Wang, Y., … Fan, Z. (2024). Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials. Journal of Applied Physics. AIP Publishing. https://doi.org/10.1063/5.0200833
[Preprint]
View
| Files available
| DOI
| arXiv
2024 | Published | Journal Article | IST-REx-ID: 15052
Cheng, R., Zeng, Z., Wang, C., Ouyang, N., & Chen, Y. (2024). Impact of strain-insensitive low-frequency phonon modes on lattice thermal transport in AxXB6-type perovskites. Physical Review B. American Physical Society. https://doi.org/10.1103/physrevb.109.054305
View
| DOI
2024 | Published | Journal Article | IST-REx-ID: 15311 |
Zeng, Z., Shen, X., Cheng, R., Perez, O., Ouyang, N., Fan, Z., … Chen, Y. (2024). Pushing thermal conductivity to its lower limit in crystals with simple structures. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-024-46799-3
[Published Version]
View
| Files available
| DOI
| PubMed | Europe PMC
| arXiv
2023 | Published | Journal Article | IST-REx-ID: 14425 |
Zeng, Z., Wodaczek, F., Liu, K., Stein, F., Hutter, J., Chen, J., & Cheng, B. (2023). Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-023-41865-8
[Published Version]
View
| Files available
| DOI
| WoS
| PubMed | Europe PMC
| arXiv
2023 | Published | Journal Article | IST-REx-ID: 14605
Ouyang, N., Zeng, Z., Wang, C., Wang, Q., & Chen, Y. (2023). Role of high-order lattice anharmonicity in the phonon thermal transport of silver halide AgX (X=Cl,Br, I). Physical Review B. American Physical Society. https://doi.org/10.1103/PhysRevB.108.174302
View
| DOI