An efficient matrix algorithm for the calculation of the gradient of the conformational energy of polymer chains

DOI10.1016/0021-9991(82)90034-1zbMath0489.65071OpenAlexW2083481865MaRDI QIDQ1166914

C. Schmieg, L. M. Beck, P. C. Haegele

Publication date: 1982

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/0021-9991(82)90034-1

zbMATH Keywords

matrix algorithmminimization algorithmconformational energy of polymer chains

Mathematics Subject Classification ID

Partial differential equations of mathematical physics and other areas of application (35Q99) Applications to the sciences (65Z05) Chemical kinetics in thermodynamics and heat transfer (80A30)

Uses Software

• ALGOL 60

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