High Performance Computation for Engineered Systems (HPCES): Recent submissions

Now showing items 52-54 of 87

    • Long range correction for wall-fluid interaction in molecular dynamic simulations 

      He, Gang; Hadjiconstantinou, Nicolas G. (2004-01)
      A new method is proposed for correctly modeling the long range interaction between a fluid and a bounding wall in atomistic simulations. This method incorporates the molecular structure of the solid substrate while allowing ...

    • The Interplay of Ranks of Submatrices 

      Strang, Gilbert; Nguyen, Tri Dung (2004-01)
      A banded invertible matrix T has a remarkable inverse. All "upper" and "lower" submatrices of T⁻¹ have low rank (depending on the bandwidth in T). The exact rank condition is known, and it allows fast multiplication by ...

    • Improved O(N) neighbor list method using domain decomposition and data sorting 

      Yao, Zhenhua; Wang, Jian-Sheng; Cheng, Min (2004-01)
      The conventional Verlet table neighbor list algorithm is improved to reduce the number of unnecessary inter-atomic distance calculations in molecular simulations involving large amount of atoms. Both of the serial and ...