State-of-the-art molecular dynamics (MD) simulations generate massive datasets involving billion-vertex chemical bond networks, which makes data mining based on graph algorithms s...
Cheng Zhang, Bhupesh Bansal, Paulo S. Branicio, Ra...
We present a distributed scheme for initialization from atomic wavefunctions in ab initio molecular dynamics simulations. Good initial guesses for approximate wavefunctions are ve...
Dynamic reconfigurable simulation based on Discrete Event System Specification (DEVS) requires efficient verification of simulation models. Traditional verification method of DEVS ...
Abstract--Intervehicle communication is a key technique of intelligent transport systems. Recently, ad hoc networking in the vehicular environment was investigated intensively. Thi...
Zhigang Wang, Lichuan Liu, MengChu Zhou, N. Ansari
Energy minimization algorithms for bio-molecular systems are critical to applications such as the prediction of protein folding. Conventional energy minimization methods such as th...
Xiaochun Weng, Lutz Hamel, Lenore M. Martin, Joan ...