Neuroevolution machine learning potentials: Combining high accuracy and low cost in atomistic simulations and application to heat transport Z Fan, Z Zeng, C Zhang, Y Wang, K Song, H Dong, Y Chen, T Ala-Nissila Physical Review B 104 (10), 104309, 2021 | 170 | 2021 |

GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations Z Fan, Y Wang, P Ying, K Song, J Wang, Y Wang, Z Zeng, K Xu, ... The Journal of Chemical Physics 157 (11), 2022 | 113 | 2022 |

Thermoelectric enhancements in PbTe alloys due to dislocation‐induced strains and converged bands Y Wu, P Nan, Z Chen, Z Zeng, R Liu, H Dong, L Xie, Y Xiao, Z Chen, H Gu, ... Advanced Science 7 (12), 1902628, 2020 | 99 | 2020 |

Leveraging bipolar effect to enhance transverse thermoelectricity in semimetal Mg_{2}Pb for cryogenic heat pumpingZ Chen, X Zhang, J Ren, Z Zeng, Y Chen, J He, L Chen, Y Pei Nature Communications 12 (1), 3837, 2021 | 38 | 2021 |

Nonperturbative phonon scatterings and the two-channel thermal transport in Z Zeng, C Zhang, Y Xia, Z Fan, C Wolverton, Y Chen Physical Review B 103 (22), 224307, 2021 | 37 | 2021 |

Manipulation of band degeneracy and lattice strain for extraordinary PbTe thermoelectrics Y Wu, P Nan, Z Chen, Z Zeng, S Lin, X Zhang, H Dong, Z Chen, H Gu, ... Research, 2020 | 32 | 2020 |

Ultralow lattice thermal conductivity enables high thermoelectric performance in BaAg2Te2 alloys J Tang, C Qin, H Yu, Z Zeng, L Cheng, B Ge, Y Chen, W Li, Y Pei Materials Today Physics 22, 100591, 2022 | 29 | 2022 |

Revisiting phonon transport in perovskite : Anharmonic phonon renormalization and four-phonon scattering Q Wang, Z Zeng, Y Chen Physical Review B 104 (23), 235205, 2021 | 26 | 2021 |

Ultralow and glass-like lattice thermal conductivity in crystalline BaAg2Te2: Strong fourth-order anharmonicity and crucial diffusive thermal transport Z Zeng, C Zhang, H Yu, W Li, Y Pei, Y Chen Materials Today Physics 21, 100487, 2021 | 25 | 2021 |

Critical phonon frequency renormalization and dual phonon coexistence in layered Ruddlesden-Popper inorganic perovskites Z Zeng, C Chen, C Zhang, Q Zhang, Y Chen Physical Review B 105 (18), 184303, 2022 | 23 | 2022 |

Mechanistic insight on water dissociation on pristine low-index TiO_{2} surfaces from machine learning molecular dynamics simulationsZ Zeng, F Wodaczek, K Liu, F Stein, J Hutter, J Chen, B Cheng Nature Communications 14 (1), 6131, 2023 | 19 | 2023 |

Anharmonic lattice dynamics and thermal transport of monolayer InSe under equibiaxial tensile strains Z Zeng, S Li, T Tadano, Y Chen Journal of Physics: Condensed Matter 32 (47), 475702, 2020 | 19 | 2020 |

Soft-mode dynamics in the ferroelectric phase transition of GeTe C Wang, J Wu, Z Zeng, J Embs, Y Pei, J Ma, Y Chen npj Computational Materials 7 (1), 118, 2021 | 16 | 2021 |

Lattice dynamics and thermal transport of PbTe under high pressure R Cheng, X Shen, S Klotz, Z Zeng, Z Li, A Ivanov, Y Xiao, LD Zhao, ... Physical Review B 108 (10), 104306, 2023 | 10 | 2023 |

Extreme in-plane phonon blocking in simple chainlike crystals Z Zeng, C Zhang, N Ouyang, Y Chen Physical Review B 106 (5), 054302, 2022 | 7 | 2022 |

Anharmonic lattice dynamics of SnS across phase transition: A study using high-dimensional neural network potential N Ouyang, C Wang, Z Zeng, Y Chen Applied Physics Letters 119 (6), 2021 | 6 | 2021 |

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, ... Journal of Applied Physics 135 (16), 2024 | 5 | 2024 |

General-purpose machine-learned potential for 16 elemental metals and their alloys K Song, R Zhao, J Liu, Y Wang, E Lindgren, Y Wang, S Chen, K Xu, ... arXiv preprint arXiv:2311.04732, 2023 | 5 | 2023 |

Role of high-order lattice anharmonicity in the phonon thermal transport of silver halide N Ouyang, Z Zeng, C Wang, Q Wang, Y Chen Physical Review B 108 (17), 174302, 2023 | 5 | 2023 |

B-site columnar-ordered halide double perovskites: Breaking octahedra motions induces strong lattice anharmonicity and thermal anisotropy Q Wang, Z Zeng, P Zhao, C Chen, N Ouyang, J Mao, Y Chen Chemistry of Materials 35 (4), 1633-1639, 2023 | 5 | 2023 |