Point defects and clustering in uranium dioxide by LSDA+ U calculations HY Geng, Y Chen, Y Kaneta, M Iwasawa, T Ohnuma, M Kinoshita Physical Review B 77 (10), 104120, 2008 | 137 | 2008 |

First-principles calculation of point defects in uranium dioxide M Iwasawa, Y Chen, Y Kaneta, T Ohnuma, HY Geng, M Kinoshita Materials transactions 47 (11), 2651-2657, 2006 | 137 | 2006 |

Structural behavior of uranium dioxide under pressure by LSDA+ U calculations HY Geng, Y Chen, Y Kaneta, M Kinoshita Physical Review B 75 (5), 054111, 2007 | 123 | 2007 |

Interplay of defect cluster and the stability of xenon in uranium dioxide from density functional calculations HY Geng, Y Chen, Y Kaneta, M Kinoshita, Q Wu Physical Review B 82 (9), 094106, 2010 | 109 | 2010 |

Thermoelectric properties of Janus MXY (M= Pd, Pt; X, Y= S, Se, Te) transition-metal dichalcogenide monolayers from first principles WL Tao, JQ Lan, CE Hu, Y Cheng, J Zhu, HY Geng Journal of Applied Physics 127 (3), 2020 | 98 | 2020 |

Molecular dynamics study on planar clustering of xenon in UO2 HY Geng, Y Chen, Y Kaneta, M Kinoshita Journal of Alloys and Compounds 457 (1-2), 465-471, 2008 | 72 | 2008 |

Stability mechanism of cuboctahedral clusters in U O 2+ x: First-principles calculations HY Geng, Y Chen, Y Kaneta, M Kinoshita Physical Review B 77 (18), 180101, 2008 | 62 | 2008 |

Anisotropic Thermoelectric Materials: Pentagonal PtM_{2} (M = S, Se, Te)WL Tao, YQ Zhao, ZY Zeng, XR Chen, HY Geng ACS Applied Materials & Interfaces 13 (7), 8700-8709, 2021 | 53 | 2021 |

Model for assessing the melting on Hugoniots of metals: Al, Pb, Cu, Mo, Fe, and U C Dai, H Tan, H Geng Journal of applied physics 92 (9), 5019-5026, 2002 | 53 | 2002 |

Ab initio investigation on oxygen defect clusters in UO2+ x HY Geng, Y Chen, Y Kaneta, M Kinoshita Applied Physics Letters 93 (20), 2008 | 46 | 2008 |

High-pressure behavior of dense hydrogen up to 3.5 TPa from density functional theory calculations HY Geng, HX Song, JF Li, Q Wu Journal of Applied Physics 111 (6), 2012 | 45 | 2012 |

First-principles study on oxidation effects in uranium oxides and high-pressure high-temperature behavior of point defects in uranium dioxide HY Geng, HX Song, K Jin, SK Xiang, Q Wu Physical Review B 84 (17), 174115, 2011 | 41 | 2011 |

Recovery and restructuring induced by fission energy ions in high burnup nuclear fuel M Kinoshita, K Yasunaga, T Sonoda, A Iwase, N Ishikawa, M Sataka, ... Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2009 | 38 | 2009 |

Thermodynamic anomalies and three distinct liquid-liquid transitions in warm dense liquid hydrogen HY Geng, Q Wu, M Marqués, GJ Ackland Physical Review B 100 (13), 134109, 2019 | 36 | 2019 |

Anisotropic thermoelectric properties of Weyl semimetal NbX (X= P and As): A potential thermoelectric material Y Zhou, YQ Zhao, ZY Zeng, XR Chen, HY Geng Physical Chemistry Chemical Physics 21 (27), 15167-15176, 2019 | 34 | 2019 |

Extension of the Wu–Jing equation of state for highly porous materials: Thermoelectron based theoretical model G Huayun, W Qiang, T Hua, C Lingcang, J Fuqian Journal of applied physics 92 (10), 5924-5929, 2002 | 31 | 2002 |

The pressure-volume-temperature equation of state of MgO derived from shock Hugoniot data and its application as a pressure scale K Jin, X Li, Q Wu, H Geng, L Cai, X Zhou, F Jing Journal of Applied Physics 107 (11), 2010 | 30 | 2010 |

Melting curve of vanadium up to 256 GPa: Consistency between experiments and theory Y Zhang, Y Tan, HY Geng, NP Salke, Z Gao, J Li, T Sekine, Q Wang, ... Physical Review B 102 (21), 214104, 2020 | 28 | 2020 |

First-principle study on structural and electronic properties of CeO 2 and ThO 2 under high pressures HX Song, L Liu, HY Geng, Q Wu Physical Review B 87 (18), 184103, 2013 | 28 | 2013 |

First-principles study on cerium ion behavior in irradiated cerium dioxide M Iwasawa, T Ohnuma, Y Chen, Y Kaneta, HY Geng, A Iwase, ... Journal of nuclear materials 393 (2), 321-327, 2009 | 27 | 2009 |