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. OganovDistinguished Professor, Skolkovo Institute of Science and Technology, Russia; APS Fellow, FRSC, MAEVerified email at skoltech.ru
michele parrinelloDepartment of ChemistryVerified email at phys.chem.ethz.ch
Peitao LiuUniversity of ViennaVerified email at univie.ac.at
Xiyue ChengProfessor, Fujian Institute of Research on the Structure of Matter, Chinese Academy of SciencesVerified email at fjirsm.ac.cn
Cesare FranchiniUniversity of Vienna & University of BolognaVerified email at univie.ac.at
Pablo PiaggiIkerbasque and CIC nanoGUNEVerified email at nanogune.eu
Yi Isaac YangShenzhen Bay LaboratoryVerified email at szbl.ac.cn
Michele InvernizziComputational Scientist, Peptone LtdVerified email at peptone.io
Xiaobing Hu (胡肖兵)CSU;IMR-CAS; JFCC; BNL; Northwestern UniversityVerified email at northwestern.edu
Qingfeng ZengSchool of Materials Science and Engineering, Northwestern Polytechnical UniversityVerified email at nwpu.edu.cn
Shibing WangASML, USVerified email at asml.com
Wendy MaoProfessor, Earth & Planetary Sciences, Stanford & Photon Science, SLACVerified email at stanford.edu
Aleksey N. KolmogorovProfessor of Physics, Binghamton UniversityVerified email at binghamton.edu
Luigi BonatiItalian Institute of Technology, Genoa, ITVerified email at iit.it
Xiuliang MaInstitute of Metal ResearchVerified email at imr.ac.cn
Gong Yutong（巩玉同）Northwestern Polytechnical UniversityVerified email at nwpu.edu.cn
Hideo HosonoProfessor, MDX Research Center for Element strategy, Tokyo Institute of TechnologyVerified email at mces.titech.ac.jp
Dan MendelsTechnion - Israel Institute of TechnologyVerified email at technion.ac.il
GiovanniMaria PicciniAssociate professor of theoretical chemistry at Università degli Studi di Modena e Reggio EmiliaVerified email at unimore.it

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	2230	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	223	2012
Simple and accurate model of fracture toughness of solids H Niu, S Niu, AR Oganov Journal of Applied Physics 125 (6), 2019	193	2019
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	191	2012
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	181	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	181	2011
Ab initio phase diagram and nucleation of gallium H Niu, L Bonati, PM Piaggi, M Parrinello Nature communications 11 (1), 2654, 2020	165	2020
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	113	2020
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	113	2018
Pressure-stabilized hafnium nitrides and their properties J Zhang, AR Oganov, X Li, H Niu Physical Review B 95 (2), 020103, 2017	113	2017
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
Temperature dependence of homogeneous nucleation in ice H Niu, YI Yang, M Parrinello Physical review letters 122 (24), 245501, 2019	80	2019
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
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	68	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	63	2021
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	60	2015
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	58	2017
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	48	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	46	2018
Combining metadynamics and integrated tempering sampling YI Yang, H Niu, M Parrinello The journal of physical chemistry letters 9 (22), 6426-6430, 2018	41	2018

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