Publications - Li Zhu

Publications

Complete list of publications can also be found on Google Scholar.

2017

  1. "Prediction of a thermodynamically stable carbon-based clathrate",
    Li Zhu, Hanyu Liu, R. E. Cohen, Roald Hoffmann, Timothy A. Strobel, arXiv:1708.03483 (2017)
  2. "From Linear Molecular Chains to Extended Polycyclic Networks: Polymerization of Dicyanoacetylene",
    Huiyang Gou, Li Zhu (co-first), Haw-Tyng Huang, Arani Biswas, Derek W. Keefer, Brian L. Chaloux, Clemens Prescher, Liuxiang Yang, Duck Young Kim, Matthew D. Ward, Jordan Lerach, Shengnan Wang, Artem R. Oganov, Albert Epshteyn, John V. Badding, Timothy A. Strobel, Chem. Mater. 29, 6706 (2017)
  3. "Crystal Structures of CaB3N3 at High Pressures",
    Miao Zhang, Ya-Nan Guo, Li Zhu, Xiaolei Feng, Simon Redfern, Jiuhua Chen, Hanyu Liu, John Tse, Inorg. Chem. 56, 7449 (2017)

2016

  1. "Structure and Electronic Properties of Fe2SH3 Compound under High Pressure",
    Shoutao Zhang, Li Zhu, Hanyu Liu, and Guochun Yang, Inorg. Chem. 55, 11434 (2016)
  2. "A fingerprint based metric for measuring similarities of crystaline structures",
    Li Zhu, Maximilian Amsler, Tobias Fuhrer, Bastian Schaefer, Somayeh Fareji, Alireza Ghasemi, Migle Grauzinyte, Chris Wolverton, and Stefan Goedecker, J. Chem. Phys. 144, 034203 (2016)

2015

  1. "Materials discovery via CALYPSO methodology",
    Yanchao Wang, Jian Lv, Li Zhu, Shaohua Lu, Ketao Yin, Quan Li, Hui Wang, Lijun Zhang and Yanming Ma, J. Phys.: Condens. Matter 27, 203203 (2015).
  2. "Gluing together metallic and covalent layers to form Ru2C under ambient conditions",
    Weiwei Sun, Yunguo Li, Li Zhu, Yanming Ma, Igor Di Marco, Börje Johansson and Pavel Korzhavyi, Phys. Chem. Chem. Phys. 17, 9730 (2015).
  3. "Pressure-Induced Reversible Phase Transformation in Nanostructured Bi2Te3 with Reduced Transition Pressure",
    Guanjun Xiao, Kai Wang, Li Zhu, Xiao Tan, Yuancun Qiao, Ke Yang, Yanming Ma, Bingbing Liu, Weitao Zheng, and Bo Zou, J. Phys. Chem C 119, 3843 (2015).

2014

  1. "Xenon Reacts with Iron at the Conditions of the Earth's Core",
    Li Zhu, Hanyu Liu, Chris J. Pickard, Guangtian Zou, and Yanming Ma, Nature Chem. 6, 644 (2014).
  2. "B38: An All-boron Fullerene Analogue",
    Jian Lv, Yanchao Wang, Li Zhu and Yanming Ma, Nanoscale 6, 11692 (2014).
  3. "Metallization and superconductivity of BeH2 under high pressure",
    Ziwei Wang, Yansun Yao, Li Zhu, Hanyu Liu, Toshiaki Iitaka, Hui Wang, and Yanming Ma, J. Chem. Phys. 140, 124707 (2014).

2013

  1. "Stabilization of 9/10-Fold Structure in Bismuth Selenide at High Pressures",
    Guangtao Liu, Li Zhu, Yanmei Ma, Chuanlong Lin, Jing Liu, and Yanming Ma, J. Phys. Chem. C 117, 10045 (2013).

2012

  1. "Spiral chain O4 form of dense oxygen",
    Li Zhu, Ziwei Wang, Yanchao Wang, Guangtian Zou, Ho-kwang Mao, and Yanming Ma, Proc. Natl. Acad. Sci. USA 109, 751 (2012).
  2. "Synthesis and high-pressure transformation of metastable wurtzite-structured CuGaS2 nanocrystals",
    Ningru Xiao, Li Zhu, Kai Wang, Quanqin Dai, Yingnan Wang, Shourui Li, Yongming Sui, Yanming Ma, Jing Liu, Bingbing Liu, Guangtian Zou and Bo Zou, Nanoscale 4, 7443 (2012).
  3. "Room-temperature structures of solid hydrogen at high pressures",
    Hanyu Liu, Li Zhu, Wenwen Cui, and Yanming Ma, J. Chem. Phys. 137, 074501 (2012).
  4. "CALYPSO: A method for crystal structure prediction",
    Yanchao Wang, Jian Lv, Li Zhu and Yanming Ma, Comput. Phys. Commun. 183, 2063 (2012).
  5. "Pressure-Induced Formation of Noble Metal Hydrides",
    Guoying Gao, Hui Wang, Li Zhu, and Yanming Ma, J. Phys. Chem. C 116, 1995 (2012).
  6. "Particle-swarm structure prediction on clusters",
    Jian Lv, Yanchao Wang, Li Zhu, and Yanming Ma, J. Chem. Phys. 137, 084104 (2012).
  7. "An effective structure prediction method for layered materials based on 2D particle swarm optimization algorithm",
    Yanchao Wang, Maosheng Miao, Jian Lv, Li Zhu, Ketao Yin, Hanyu Liu, and Yanming Ma, J. Chem. Phys. 137, 224108 (2012).

2011

  1. "Substitutional Alloy of Bi and Te at High Pressure",
    Li Zhu, Hui Wang, Yanchao Wang, Jian Lv, Yanmei Ma, Qiliang Cui, Yanming Ma, and Guangtian Zou, Phys. Rev. Lett. 106, 145501 (2011).
  2. "High pressure partially ionic phase of water ice",
    Yanchao Wang, Hanyu Liu, Jian Lv, Li Zhu, Hui Wang and Yanming Ma, Nature Commun. 2, 563 (2011).
  3. "Predicted Novel High-Pressure Phases of Lithium",
    Jian Lv, Yanchao Wang, Li Zhu, and Yanming Ma, Phys. Rev. Lett. 106, 015503 (2011).
  4. "Superhard polymorphs of diamond-like BC7",
    Hanyu Liu, Quan Li, Li Zhu, and Yanming Ma, Solid State Commun. 115, 716 (2011).
  5. ""Superhard and superconductive polymorphs of diamond-like BC3",
    Hanyu Liu, Quan Li, Li Zhu, and Yanming Ma, Phys. Lett. A 375, 771 (2011).

2010

  1. "Crystal structure prediction via particle-swarm optimization",
    Yanchao Wang, Jian Lv, Li Zhu, and Yanming Ma, Phys. Rev. B 82, 094116 (2010).