Fundamental Algorithms

  1. 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.

  2. Finding critical nucleus in solid-state transformations,
    Chen Shen, Ju Li and Yunzhi Wang, Metallurgical and Materials Transactions A 39 (2008) 976-983.

  3. Highly localized quasiatomic minimal basis orbitals for Mo from ab initio calculations,
    Tzu-Liang Chan, Yong-Xin Yao, Cai-Zhuang Wang, Wen-Cai Lu, Ju Li, Xiao-Feng Qian, Sidney Yip, and Kai-Ming Ho, Phys. Rev. B 76 (2007) 205119.

  4. First-principles calculation on screw dislocation core properties in bcc molybdenum,
    Futoshi Shimizu, Shigenobu Ogata, Hajime Kimizuka, Takuma Kano, Ju Li, and Hideo Kaburaki, Journal of the Earth Simulator 7 (2007) 17-21.

  5. Basic molecular dynamics,
    J. Li, Chap. 2.8 in Handbook of Materials Modeling, ed. S. Yip (Springer, Dordrecht, 2005), pp. 565-588. ISBN: 1402032870. Mistake free version at http://alum.mit.edu/www/liju99/Papers/05/Li05-2.8.pdf

  6. Parallel molecular dynamics simulation on elastic properties of solid argon,
    Futoshi Shimizu, Hajime Kimizuka, Hideo Kaburaki, Ju Li and Sidney Yip, SNA 2000. Proceedings of the Fourth International Conference on Supercomputing in Nuclear Applications, September 4-7, 2000, Tokyo, Japan.

  7. Order-N method to calculate the local density of states,
    Ju Li and Sidney Yip, Physical Review B 56 (1997) 3524-7.

  8. Transparencies at a group-meeting talk on the order-N method to calculate LDOS.