1971 Articles
Efficient Computation of Polymer Conformation Energy
Calculation of intramolecular energy of a polymer due to interactions of non-bonded atoms can be speeded up using simple geometric inequalities. This "zippering" method reduces time dependence of computation from n^2 to n^1.25, where n is the chain length. This technique is especially useful in applications of the pivot algorithm.
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Also Published In
- Title
- Journal of Computational Physics
- DOI
- https://doi.org/10.1016/0021-9991(71)90058-1
More About This Work
- Academic Units
- Epidemiology
- Published Here
- February 14, 2014