Academic Commons


Efficient Computation of Polymer Conformation Energy

Stellman, Steven D.; Froimowitz, Mark; Gans, Paul J.

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.


  • thumnail for Stellman_1971_JCompPhys.pdf Stellman_1971_JCompPhys.pdf application/pdf 154 KB Download File

Also Published In

Journal of Computational Physics

More About This Work

Academic Units
Published Here
February 14, 2014
Academic Commons provides global access to research and scholarship produced at Columbia University, Barnard College, Teachers College, Union Theological Seminary and Jewish Theological Seminary. Academic Commons is managed by the Columbia University Libraries.