Potential Development

  1. Towards universal neural network interatomic potential,
    So Takamoto, Daisuke Okanohara, Qing-Jie Li and Ju Li, Journal of Materiomics 9 (2023) 9 (2023) 447-454.

  2. High accuracy neural network interatomic potential for NiTi shape memory alloy,
    Hao Tang, Yin Zhang, Qing-Jie Li, Haowei Xu, Yuchi Wang, Yunzhi Wang and Ju Li, Acta Materialia 238 (2022) 118217.

  3. TeaNet: Universal neural network interatomic potential inspired by iterative electronic relaxations,
    So Takamoto, Satoshi Izumi and Ju Li, Computational Materials Science 207 (2021) 111280.

  4. Modeling LiF and FLiBe Molten Salts with Robust Neural Network Interatomic Potential,
    Stephen T. Lam, Qing-Jie Li, Ronald Ballinger, Charles Forsberg and Ju Li, ACS Applied Materials & Interfaces 13 (2021) 24582-24592.

  5. Development of robust neural-network interatomic potential for molten salt,
    Qing-Jie Li, Emine Kucukbenli, Stephen Lam, Boris Khaykovich, Efthimios Kaxiras and Ju Li, Cell Reports Physical Science 2 (2021) 100359.

  6. Quasiatomic orbitals for ab initio tight-binding analysis,
    Xiaofeng Qian, Ju Li, Liang Qi, Cai-Zhuang Wang, Tzu-Liang Chan, Yong-Xin Yao, Kai-Ming Ho and Sidney Yip, Physical Review B 78 (2008) 245112.

  7. Tight-binding Hamiltonian from first-principles calculations,
    Cai-Zhuang Wang, Wen-Cai Lu, Yong-Xin Yao, Ju Li, Sidney Yip and Kai-Ming Ho, Scientific Modeling and Simulation 15 (2008) 81-95.

  8. Atomistic simulation studies of complex carbon and silicon systems using environment-dependent tight-binding potentials,
    Cai-Zhuang Wang, Gun-Do Lee, Ju Li, Sidney Yip and Kai-Ming Ho, Scientific Modeling and Simulation 15 (2008) 97-121.

  9. Thermal expansion and atomic vibrations of zirconium carbide to 1600K,
    Angus C. Lawson, Darryl P. Butt, Jim W. Richardson and Ju Li, Philos. Mag. 87 (2007) 2507-2519.

  10. Encoding Electronic Structure Information in Potentials for Multi-scale Simulations: SiO2,
    Wuming Zhu, DeCarlos E. Taylor, Afaf R. Al-Derzi, Keith Runge, Samuel B. Trickey, Ju Li, Ting Zhu and Sidney Yip, Computational Materials Science 38 (2006) 340-349.

  11. Analysis of shear deformations in Al and Cu: empirical potentials versus density functional theory,
    Robert D. Boyer, Ju Li, Shigenobu Ogata and Sidney Yip, Modelling Simul. Mater. Sci. Eng. 12 (2004) 1017-1029.

  12. Force-based many-body interatomic potential for ZrC,
    Ju Li, Dongyi Liao, Sidney Yip, Reza Najafabadi and Lynne Ecker, Journal of Applied Physics 93 (2003) 9072-85. source code webpage.

  13. Issues about self-consistent TB charge iteration,
    Ju Li, January 20, 1999, Ames Lab report.

  14. To-do list,
    Ju Li, January 20, 1999, Ames Lab report.

  15. MIT NED RST Doctoral Seminar,
    Ju Li, Oct 7, 1998.

  16. Summary of collaboration at Ames Lab from June 11 to July 3, 1997,
    Ju Li, July 3, 1997, Ames Lab report.

  17. Summary of Li Ju's work at Ames from July 17th to Aug 1st, 96',
    Ju Li, July 29, 1996, Ames Lab report.