1. Energetics of plastic bending of carbon nanotubes
    Hideki Mori, Shigenobu Ogata, Ju Li, Seiji Akita and Yoshikazu Nakayama, Phys. Rev. B 74 (2006) 165418.

  2. 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.

  3. Atomic scale chemo-mechanics of silica: nano-rod deformation and water reaction,
    Emilio C. C. M. Silva, Ju Li, Dongyi Liao, Sundar Subramanian, Ting Zhu and Sidney Yip, Journal of Computer-Aided Materials Design 13 (2006) 135-159.

  4. Spectral method for thermal conductivity calculations,
    Ju Li, Journal of Computer-Aided Materials Design 12 (2005) 141-159.

  5. Theoretical assessment of the elastic constants and hydrogen storage capacity of some metal-organic framework materials,
    Amit Samanta, Terumi Furuta and Ju Li, J. Chem. Phys. 125 (2006) 084714.

  6. Coverage dependence and hydroperoxyl-mediated pathway of catalytic water formation on Pt (111) surface,
    Liang Qi, Jianguo Yu and Ju Li, J. Chem. Phys. 125 (2006) 054701.

  7. Yield Point of Metallic Glass,
    Futoshi Shimizu, Shigenobu Ogata and Ju Li, Acta Mater. 54 (2006) 4293-4298.

  8. Undissociated screw dislocation in Si: glide or shuffle-set?
    Cai-Zhuang Wang, Ju Li, Kai-Ming Ho and Sidney Yip, Applied Physics Letters 89 (2006) 051910.

  9. Molecularly based analysis of deformation of spectrin network and human erythrocyte,
    Ming Dao, Ju Li and Subra Suresh, Materials Science and Engineering C 26 (2006) 1232-1244.

  10. Atomistic Simulation of Rapid Compression of Fractured Silicon Carbide,
    Antonino Romano, Ju Li and Sidney Yip, Journal of Nuclear Materials 352 (2006) 22-28.

  11. Multiple Self-Localized Electronic States in Trans-Polyacetylene,
    Xi Lin, Ju Li, Clemens J. Forst and Sidney Yip, Proc. Natl. Acad. Sci. USA 103 (2006) 8943-8946.

  12. Atomistic simulation of shear localization in Cu-Zr bulk metallic glass,
    Shigenobu Ogata, Futoshi Shimizu, Ju Li, Masato Wakeda and Yoji Shibutani, Intermetallics 14 (2006) 1033-1037.

  13. A Perspective on Modeling Materials in Extreme Environments: Oxidation of Ultrahigh-Temperature Ceramics,
    Angelo Bongiorno, Clemens J. Först, Rajiv K. Kalia, Ju Li, Jochen Marschall, Aiichiro Nakano, Mark M. Opeka, Inna G.Talmy, Priya Vashishta, and Sidney Yip, MRS Bulletin 31 (2006) 410-418.

  14. Atomistic characterization of three-dimensional lattice trapping barriers to brittle fracture,
    Ting Zhu, Ju Li and Sidney Yip, Proceedings of the Royal Society A 462 (2006) 1741-1761.

  15. Atomistic simulation of the influence of pressure on dislocation nucleation in bcc Mo,
    Dong-Sheng Xu, Rui Yang, Ju Li, Jin-Peng Chang, Hao Wang, Dong Li, Sidney Yip, Computational Materials Science 36 (2006) 60-64.

  16. Time-dependent density functional theory with ultrasoft pseudopotentials: Real-time electron propagation across a molecular junction,
    Xiaofeng Qian, Ju Li, Xi Lin and S. Yip, Physical Review B 73 (2006) 035408.
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