Large-Scale Optimization with Applications

Part III: Molecular Structure and Optimization

  • Lorenz T. Biegler
  • Andrew R. Conn
  • Thomas F. Coleman
  • Fadil N. Santosa

Part of the The IMA Volumes in Mathematics and its Applications book series (IMA, volume 94)

Table of contents

  1. Front Matter
    Pages i-xvi
  2. K. A. Dill, A. T. Phillips, J. B. Rosen
    Pages 1-21
  3. Jun Gu, Bin Du, Panos Pardalos
    Pages 47-67
  4. J. C. Meza, T. D. Plantenga, R. S. Judson
    Pages 73-97
  5. Jorge J. Moré, Zhijun Wu
    Pages 99-121
  6. Klaus Ritter, Stephen M. Robinson, Stefan Schäffler
    Pages 123-133
  7. C.-S. Shao, R. H. Byrd, E. Eskow, R. B. Schnabel
    Pages 163-199
  8. Back Matter
    Pages 201-207

About this book


Many important molecular conformation problems, such as protein folding, are expressed as global minimization problems. It is the fact that local minimization is insufficient, that markedly differentiates this volume from the previous two. Unfortunately, global minimization problems that result from models of molecular conformation are usually intractable. For example, simple 1-dimensional versions of distance conformation problems are NP-hard. Nevertheless, there has been significant recent progress in the design of promising heuristic strategies (often involving the use of high- performance parallel computers) for computing approximate global minimizers. The purpose of the sessions represented in this volume was to discuss the new algorithmic advances for global minimization in the context of protein folding and related molecular minimization problems. Emphasis was on practical shortcomings of current approaches, outstanding problems and questions, and the use of high-performance parallel computers.


Optimization algorithm Optimization algorithms algorithm algorithms chemical engineering control differential equation global optimization mechanics modeling optimization partial differential equation transformation

Editors and affiliations

  • Lorenz T. Biegler
    • 1
  • Andrew R. Conn
    • 2
  • Thomas F. Coleman
    • 3
  • Fadil N. Santosa
    • 4
  1. 1.Chemical Engineering DepartmentCarnegie Mellon UniversityPittsburghUSA
  2. 2.Thomas J. Watson Research CenterYorktown HeightsUSA
  3. 3.Computer Science DepartmentCornell UniversityIthacaUSA
  4. 4.School of MathematicsUniversity of MinnesotaMinneapolisUSA

Bibliographic information

  • DOI
  • Copyright Information Springer-Verlag New York, Inc. 1997
  • Publisher Name Springer, New York, NY
  • eBook Packages Springer Book Archive
  • Print ISBN 978-1-4612-6870-3
  • Online ISBN 978-1-4612-0693-4
  • Series Print ISSN 0940-6573
  • Buy this book on publisher's site