Haiyang Niu

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Xing-Qiu ChenShenyang National Laboratory for Materials Sciences, Institute of Metal Research, Chinese Academy ofVerified email at imr.ac.cn
Artem R. OganovSkolkovo Institute of Science and Technology, RussiaVerified email at skoltech.ru
michele parrinelloDepartment of ChemistryVerified email at phys.chem.ethz.ch
Peitao LiuUniversity of ViennaVerified email at univie.ac.at
Cesare FranchiniUniversity of Vienna & University of BolognaVerified email at univie.ac.at
Michele InvernizziPostDoc, FU BerlinVerified email at fu-berlin.de
Pablo PiaggiPrinceton UniversityVerified email at princeton.edu
Yi Isaac YangShenzhen Bay LaboratoryVerified email at szbl.ac.cn
Qingfeng ZengSchool of Materials Science and Engineering, Northwestern Polytechnical UniversityVerified email at nwpu.edu.cn
Shibing WangASML, USVerified email at asml.com
Wendy MaoProfessor, Geological Sciences, Stanford & Photon Science, SLACVerified email at stanford.edu
Aleksey N. KolmogorovProfessor of Physics, Binghamton UniversityVerified email at binghamton.edu
Xiaobing Hu (胡肖兵)CSU;IMR-CAS; JFCC; BNL; Northwestern UniversityVerified email at northwestern.edu
Xiuliang MaInstitute of Metal ResearchVerified email at imr.ac.cn
Dan MendelsTechnion - Israel Institute of TechnologyVerified email at technion.ac.il
GiovanniMaria PicciniRWTH University AachenVerified email at itmc.rwth-aachen.de
Yue-Yu Zhang （张越宇）Fudan University; ETHZ; Imperial College LondonVerified email at imperial.ac.uk
M. Mahdi Davari EsfahaniStony Brook UniversityVerified email at stonybrook.edu
Hui-Ming ChengShenyang National Laboratory for Materials Science, Institute of Metal Research, CASVerified email at imr.ac.cn
Qiang ZhuUniversity of Nevada Las VegasVerified email at unlv.edu

Haiyang Niu

Northwestern Polytechnical University

Verified email at nwpu.edu.cn

Crystallography Computational materials science Crystal structure prediction Nucleation theory Molecular dynamics


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Modeling hardness of polycrystalline materials and bulk metallic glasses XQ Chen, H Niu, D Li, Y Li Intermetallics 19 (9), 1275-1281, 2011	1716	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	185	2012
Families of superhard crystalline carbon allotropes constructed via cold compression of graphite and nanotubes H Niu, XQ Chen, S Wang, D Li, WL Mao, Y Li Physical Review Letters 108 (13), 135501, 2012	173	2012
Structure, bonding, and possible superhardness of CrB 4 H Niu, J Wang, XQ Chen, D Li, Y Li, P Lazar, R Podloucky, ... Physical Review B 85 (14), 144116, 2012	167	2012
Hardness of T-carbon: Density functional theory calculations XQ Chen, H Niu, C Franchini, D Li, Y Li Physical Review B 84 (12), 121405, 2011	155	2011
Simple and accurate model of fracture toughness of solids H Niu, S Niu, AR Oganov Journal of Applied Physics 125 (6), 065105, 2019	105	2019
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), 031901, 2011	95	2011
Ab initio phase diagram and nucleation of gallium H Niu, L Bonati, PM Piaggi, M Parrinello Nature communications 11 (1), 2654, 2020	94	2020
Pressure-stabilized hafnium nitrides and their properties J Zhang, AR Oganov, X Li, H Niu Physical Review B 95 (2), 020103, 2017	86	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	79	2018
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), 171903, 2013	72	2013
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	60	2014
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	56	2020
Temperature dependence of homogeneous nucleation in ice H Niu, YI Yang, M Parrinello Physical review letters 122 (24), 245501, 2019	50	2019
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	44	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	44	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), 094509, 2019	40	2019
Diverse chemistry of stable hydronitrogens, and implications for planetary and materials sciences GR Qian, H Niu, CH Hu, AR Oganov, Q Zeng, HY Zhou Scientific Reports 6 (1), 25947, 2016	35	2016
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	32	2021
Combining metadynamics and integrated tempering sampling YI Yang, H Niu, M Parrinello The Journal of Physical Chemistry Letters 9 (22), 6426-6430, 2018	28	2018

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