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21 Publications


2024 |Published| Journal Article | IST-REx-ID: 15052
Impact of strain-insensitive low-frequency phonon modes on lattice thermal transport in AxXB6-type perovskites
R. Cheng, Z. Zeng, C. Wang, N. Ouyang, Y. Chen, Physical Review B 109 (2024).
View | DOI
 

2024 |Published| Journal Article | IST-REx-ID: 15311 | OA
Pushing thermal conductivity to its lower limit in crystals with simple structures
Z. Zeng, X. Shen, R. Cheng, O. Perez, N. Ouyang, Z. Fan, P. Lemoine, B. Raveau, E. Guilmeau, Y. Chen, Nature Communications 15 (2024).
[Published Version] View | Files available | DOI | arXiv
 

2024 |Published| Journal Article | IST-REx-ID: 15359 | OA
Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials
H. Dong, Y. Shi, P. Ying, K. Xu, T. Liang, Y. Wang, Z. Zeng, X. Wu, W. Zhou, S. Xiong, S. Chen, Z. Fan, Journal of Applied Physics 135 (2024).
[Preprint] View | Files available | DOI | arXiv
 

2024 |Published| Journal Article | IST-REx-ID: 17278 | OA
Integrating molecular dynamics simulations and experimental data for azeotrope predictions in binary mixtures
X. Wang, B. Cheng, Journal of Chemical Physics 161 (2024).
[Preprint] View | Files available | DOI | Download Preprint (ext.) | arXiv
 

2024 |Epub ahead of print| Journal Article | IST-REx-ID: 17322 | OA
Cartesian atomic cluster expansion for machine learning interatomic potentials
B. Cheng, Npj Computational Materials 10 (2024).
[Published Version] View | DOI | Download Published Version (ext.) | arXiv
 

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