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2002 | OriginalPaper | Chapter

Multivariate Minimization in Computational Chemistry

Author : Tamar Schlick

Published in: Molecular Modeling and Simulation

Publisher: Springer New York

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Optimization is a fundamental component of molecular modeling. The determination of a low-energy conformation for a given force field can be the final objective of the computation. It can also serve as a starting point for subsequent calculations, such as molecular dynamics simulations or normal-mode analyses.

Metadata
Title
Multivariate Minimization in Computational Chemistry
Author
Tamar Schlick
Copyright Year
2002
Publisher
Springer New York
DOI
https://doi.org/10.1007/978-0-387-22464-0_10