Browsing Singapore-MIT Alliance (SMA) by Author "Wang, Jian-Sheng"
Now showing items 1-3 of 3
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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 ... -
Linear Thermodynamics of Rodlike DNA Filtration
Li, Zirui; Liu, Guirong; Chen, Yuzong; Wang, Jian-Sheng; Hadjiconstantinou, Nicolas; e.a. (2007-01)Linear thermodynamics transportation theory is employed to study filtration of rodlike DNA molecules. Using the repeated nanoarray consisting of alternate deep and shallow regions, it is demonstrated that the complex ... -
Modeling generalized stacking fault in Au using tight-binding potential combined with a simulated annealing method
Cai, Jun; Wang, Jian-Sheng (2002-01)Tight-binding potential combined with a simulated annealing method is used to study the generalized stacking fault structure and energy of gold. The potential is chosen to fit band structures and total energies from a set ...