Haiyang Niu - Publications

Affiliations: 
Northwestern Polytechnical University, China 
Area:
Crystal nucleation theory, computational material design, advanced enhanced sampling

16 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Li M, Zhang J, Niu H, Lei YK, Han X, Yang L, Ye Z, Yang YI, Gao YQ. Phase Transition between Crystalline Variants of Ordinary Ice. The Journal of Physical Chemistry Letters. 13: 8601-8606. PMID 36073968 DOI: 10.1021/acs.jpclett.2c02176  0.46
2021 Ahlawat P, Hinderhofer A, Alharbi EA, Lu H, Ummadisingu A, Niu H, Invernizzi M, Zakeeruddin SM, Dar MI, Schreiber F, Hagfeldt A, Grätzel M, Rothlisberger U, Parrinello M. A combined molecular dynamics and experimental study of two-step process enabling low-temperature formation of phase-pure α-FAPbI. Science Advances. 7. PMID 33893100 DOI: 10.1126/sciadv.abe3326  0.485
2020 Niu H, Bonati L, Piaggi PM, Parrinello M. Ab initio phase diagram and nucleation of gallium. Nature Communications. 11: 2654. PMID 32461573 DOI: 10.1038/S41467-020-16372-9  0.62
2019 Niu H, Yang YI, Parrinello M. Temperature Dependence of Homogeneous Nucleation in Ice. Physical Review Letters. 122: 245501. PMID 31322390 DOI: 10.1103/Physrevlett.122.245501  0.551
2019 Zhang YY, Niu H, Piccini G, Mendels D, Parrinello M. Improving collective variables: The case of crystallization. The Journal of Chemical Physics. 150: 094509. PMID 30849916 DOI: 10.1063/1.5081040  0.619
2018 Yang YI, Niu H, Parrinello M. Combining Metadynamics and Integrated Tempering Sampling. The Journal of Physical Chemistry Letters. 6426-6430. PMID 30354148 DOI: 10.1021/Acs.Jpclett.8B03005  0.543
2018 Niu H, Piaggi PM, Invernizzi M, Parrinello M. Molecular dynamics simulations of liquid silica crystallization. Proceedings of the National Academy of Sciences of the United States of America. PMID 29735667 DOI: 10.1073/Pnas.1803919115  0.639
2017 Davari Esfahani MM, Oganov AR, Niu H, Zhang J. Superconductivity and unexpected chemistry of germanium hydrides under pressure Physical Review B. 95. DOI: 10.1103/Physrevb.95.134506  0.301
2017 Yu S, Zeng Q, Oganov AR, Frapper G, Huang B, Niu H, Zhang L. First-principles study of Zr–N crystalline phases: phase stability, electronic and mechanical properties Rsc Advances. 7: 4697-4703. DOI: 10.1039/C6Ra27233A  0.349
2016 Qian GR, Niu H, Hu CH, Oganov AR, Zeng Q, Zhou HY. Diverse Chemistry of Stable Hydronitrogens, and Implications for Planetary and Materials Sciences. Scientific Reports. 6: 25947. PMID 27193059 DOI: 10.1038/Srep25947  0.302
2015 Rakitin MS, Oganov AR, Niu H, Esfahani MM, Zhou XF, Qian GR, Solozhenko VL. A novel phase of beryllium fluoride at high pressure. Physical Chemistry Chemical Physics : Pccp. 17: 26283-8. PMID 26388165 DOI: 10.1039/C5Cp04010H  0.315
2014 Niu H, Chen XQ, Ren W, Zhu Q, Oganov AR, Li D, Li Y. Variable-composition structural optimization and experimental verification of MnB3 and MnB4. Physical Chemistry Chemical Physics : Pccp. 16: 15866-73. PMID 24962459 DOI: 10.1039/C4Cp01339E  0.381
2014 Xing W, Liu P, Cheng X, Niu H, Ma H, Li D, Li Y, Chen X. Vacancy formation enthalpy of filled d-band noble metals by hybrid functionals Physical Review B. 90: 144105. DOI: 10.1103/Physrevb.90.144105  0.306
2013 Cheng X, Zhang W, Chen X, Niu H, Liu P, Du K, Liu G, Li D, Cheng H, Ye H, Li Y. Interstitial-boron solution strengthened WB3+x Applied Physics Letters. 103: 171903. DOI: 10.1063/1.4826485  0.353
2012 Niu H, Chen XQ, Liu P, Xing W, Cheng X, Li D, Li Y. Extra-electron induced covalent strengthening and generalization of intrinsic ductile-to-brittle criterion. Scientific Reports. 2: 718. PMID 23056910 DOI: 10.1038/Srep00718  0.3
2012 Niu H, Wang J, Chen XQ, Li D, Li Y, Lazar P, Podloucky R, Kolmogorov AN. Structure, bonding, and possible superhardness of CrB 4 Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.144116  0.347
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