| Modeling hardness of polycrystalline materials and bulk metallic glasses XQ Chen, H Niu, D Li, Y Li Intermetallics 19 (9), 1275-1281, 2011 | 2172 | 2011 |
| Extra-electron induced covalent strengthening and generalization of intrinsic ductile-to-brittle criterion H Niu, XQ Chen, P Liu, W Xing, X Cheng, D Li, Y Li Scientific reports 2 (1), 718, 2012 | 219 | 2012 |
| Families of Superhard Crystalline Carbon Allotropes Constructed via Cold Compression<? format?> of Graphite and Nanotubes H Niu, XQ Chen, S Wang, D Li, WL Mao, Y Li Physical Review Letters 108 (13), 135501, 2012 | 190 | 2012 |
| Simple and accurate model of fracture toughness of solids H Niu, S Niu, AR Oganov Journal of Applied Physics 125 (6), 2019 | 183 | 2019 |
| Structure, bonding, and possible superhardness of CrB H Niu, J Wang, XQ Chen, D Li, Y Li, P Lazar, R Podloucky, ... Physical Review B—Condensed Matter and Materials Physics 85 (14), 144116, 2012 | 179 | 2012 |
| Hardness of -carbon: Density functional theory calculations XQ Chen, H Niu, C Franchini, D Li, Y Li Physical Review B—Condensed Matter and Materials Physics 84 (12), 121405, 2011 | 178 | 2011 |
| Ab initio phase diagram and nucleation of gallium H Niu, L Bonati, PM Piaggi, M Parrinello Nature communications 11 (1), 2654, 2020 | 161 | 2020 |
| Pressure-stabilized hafnium nitrides and their properties J Zhang, AR Oganov, X Li, H Niu Physical Review B 95 (2), 020103, 2017 | 111 | 2017 |
| Molecular dynamics simulations of liquid silica crystallization H Niu, PM Piaggi, M Invernizzi, M Parrinello Proceedings of the National Academy of Sciences 115 (21), 5348-5352, 2018 | 109 | 2018 |
| Computational prediction of boron-based MAX phases and MXene derivatives N Miao, J Wang, Y Gong, J Wu, H Niu, S Wang, K Li, AR Oganov, T Tada, ... Chemistry of Materials 32 (16), 6947-6957, 2020 | 106 | 2020 |
| Electronic, optical, and mechanical properties of superhard cold-compressed phases of carbon H Niu, P Wei, Y Sun, XQ Chen, C Franchini, D Li, Y Li Applied Physics Letters 99 (3), 2011 | 98 | 2011 |
| Interstitial-boron solution strengthened WB3+ x X Cheng, W Zhang, XQ Chen, H Niu, P Liu, K Du, G Liu, D Li, HM Cheng, ... Applied Physics Letters 103 (17), 2013 | 78 | 2013 |
| Temperature dependence of homogeneous nucleation in ice H Niu, YI Yang, M Parrinello Physical review letters 122 (24), 245501, 2019 | 76 | 2019 |
| Variable-composition structural optimization and experimental verification of MnB 3 and MnB 4 H Niu, XQ Chen, W Ren, Q Zhu, AR Oganov, D Li, Y Li Physical Chemistry Chemical Physics 16 (30), 15866-15873, 2014 | 67 | 2014 |
| A combined molecular dynamics and experimental study of two-step process enabling low-temperature formation of phase-pure α-FAPbI3 P Ahlawat, A Hinderhofer, EA Alharbi, H Lu, A Ummadisingu, H Niu, ... Science Advances 7 (17), eabe3326, 2021 | 61 | 2021 |
| First-principles study of Zr–N crystalline phases: phase stability, electronic and mechanical properties S Yu, Q Zeng, AR Oganov, G Frapper, B Huang, H Niu, L Zhang RSC advances 7 (8), 4697-4703, 2017 | 57 | 2017 |
| Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures H Niu, AR Oganov, XQ Chen, D Li Scientific reports 5 (1), 18347, 2015 | 57 | 2015 |
| Improving collective variables: The case of crystallization YY Zhang, H Niu, GM Piccini, D Mendels, M Parrinello The Journal of chemical physics 150 (9), 2019 | 47 | 2019 |
| Atomic-scale observation and analysis of chemical ordering in M3B2 and M5B3 borides XB Hu, HY Niu, XL Ma, AR Oganov, CAJ Fisher, NC Sheng, JD Liu, T Jin, ... Acta Materialia 149, 274-284, 2018 | 45 | 2018 |
| Combining metadynamics and integrated tempering sampling YI Yang, H Niu, M Parrinello The journal of physical chemistry letters 9 (22), 6426-6430, 2018 | 40 | 2018 |
Xing-Qiu ChenShenyang National Laboratory for Materials Sciences, Institute of Metal Research, Chinese Academy of在 imr.ac.cn 的电子邮件经过验证
