Zhong-Hui Duan's Home Page

"If we knew what it was we were doing, it would not be called research, would it?" - Albert Einstein

Software (distributed free of charge)

download ewald-multipole-1.0

Publications

Mathematical modeling and computer simulation of semicrystalline polyethylene
- A modified gambler's ruin model of polyethylene chains in the amorphous region (with L. N. Howard)
- Another Comment on "Crystallization kinetics" (ps, pdf) (with Howard, Haigh and Mandelkern)
- Diamond lattice model of semicrystalline polyethylene in the amorphous region (with L. N. Howard)
- Loop Entanglement of Semicrystalline Polyethylene in the Amorphous Region: A Diamond Lattice Approach (with L. N. Howard)

Fast algorithms for computer simulations of biomolecules and condensed media
- An Adaptive Tree Code for Potential Energy Evaluation in Classical Molecular Simulations (with R. Krasny)
- An Ewald Summation Based Multipole Method (with R. Krasny)
- Treecode algorithms for computing nonbonded particle interactions (with R. Krasny)
- A treecode algorithm for computing Ewald summation of dipolar systems (with R. Krasny)
- Parallel implementation of the treecode Ewald method (with D. Liu, R. Krasny, Jianping Zhu)

OSC support

Zhong-Hui Duan
duan@uakron.edu

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