Multiscale Methodology

  1. Deciding the Nature of the Coarse Equation through Microscopic Simulations: The Baby-Bathwater Scheme,
    Ju Li, Panayotis G. Kevrekidis, C. William Gear and Ioannis G. Kevrekidis, SIAM Review 49 (2007) 469-487.

  2. Multiscale Materials Modelling: Case Studies at the Atomistic and Electronic Structure Levels,
    Emilio Silva, Clemens Forst, Ju Li, Xi Lin, Ting Zhu and Sidney Yip, Mathematical Modelling and Numerical Analysis 41 (2007) 427-445.

  3. Statistical Field Estimators for Multiscale Simulations,
    Jacob Eapen, Ju Li and Sidney Yip, Physical Review E 72 (2005) 056712.

  4. Nonlinear dynamics analysis through molecular dynamics simulations,
    Ioannis G. Kevrekidis, Ju Li and Sidney Yip, Multiscale Modelling and Simulation, eds. S. Attinger and P. Koumoutsakos, Lecture Notes in Computational Science and Engineering, vol. 39 (Springer, Berlin, 2004). ISBN: 3540211802.

  5. The gap-tooth method in particle simulations,
    C. William Gear, Ju Li and Ioannis G. Kevrekidis, Physics Letters A 316 (2003) 190-5.

  6. Deciding the nature of the coarse equation through microscopic simulations: the baby-bathwater scheme,
    Ju Li, Panayotis G. Kevrekidis, C. William Gear and Ioannis G. Kevrekidis, Multiscale Modeling and Simulation 1 (2003) 391-407.

  7. Optimal particle controller for coupled continuum/MD fluid simulation,
    Ju Li, Dongyi Liao and Sidney Yip, Computational Fluid and Solid Mechanics : Proceedings, First MIT Conference on Computational Fluid and Solid Mechanics, June 12-15, 2001, ed. Klaus-Jürgen Bathe (Elsevier, New York, 2001). ISBN: 0080439446.

  8. Nearly exact solution for coupled continuum/MD fluid simulation,
    Ju Li, Dongyi Liao and Sidney Yip, Journal of Computer-Aided Materials Design 6 (1999) 95-102.

    Note: IUMRS-ICAM'99 conference in Beijing, June 13-18, 1999 (JJ02 talk).

  9. Coupling continuum to molecular-dynamics simulation: Reflecting particle method and the field estimator,
    Ju Li, Dongyi Liao and Sidney Yip, Physical Review E 57, 7259 (1998).

  10. Imposing field boundary conditions in MD simulation of fluids: optimal particle controller and buffer zone feedback,
    Ju Li, Dongyi Liao and Sidney Yip, Mater. Res. Soc. Symp. Proc. 538 (1999) 473-8.

    Note: this appears in Multiscale Modelling of Materials, T. Diaz de la Rubia, T. Kaxiras, V. Bulatov, N.M. Ghoniem, R. Phillips, ed., Symposium J MRS Fall Meeting 1998, Boston, USA, Nov 30-Dec 3, 1998.

  11. Coupling continuum to molecular dynamics simulation: reflecting particle method, thermodynamic field estimator, optimal particle controller,
    Ju Li, Dongyi Liao and Sidney Yip, poster given at the Multiscale Materials Prediction Workshop at MIT, September 14-16, 1997.

  12. Nearly exact solution for coupled continuum/MD fluid simulation,
    Ju Li, Dongyi Liao and Sidney Yip, invited talk at NIST Workshop on Hybrid Computational Methods for Multiscale Modeling of Materials in Gaithersburg, Maryland, May 12-14, 1999.

  13. Coupling continuum to molecular dynamics simulation: feedback control formalism and implementation,
    Dongyi Liao, Ju Li and Sidney Yip, to be submitted.

  14. Coupling continuum to MD in fluid simulation: thermodynamic field estimator, optimal particle controller, buffer-zone feedback,
    Ju Li, Dongyi Liao and Sidney Yip, MRS'98 Fall Symposium J talk.

    Note: send to printer instead of screen.