Titlebook: Large-Scale Optimization with Applications; Part III: Molecular Lorenz T. Biegler,Andrew R. Conn,Fadil N. Santosa Book 1997 Springer Scien

IST

Global Minimization of Lennard-Jones Functions on Transputer Networks,t phase consists of a special heuristic for generating an initial atomic configuration. In the second phase a global minimization method is applied to compute a configuration close to the optimal solution. Finally, the third phase uses this configuration as the starting point for a local minimizatio

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Variable-Scale Coarse-Graining in Macromolecular Global Optimization, Diffusion Equation Method and Adiabatic Gaussian Density Annealing are briefly reviewed and our Packet Annealing Method is discussed in more detail. All three methods dissect the global minimization problem into a sequence of local minimization problems on smoothed objective functions. They differ

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Book 1997mization 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. N

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0940-6573 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

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Potential Transformation Method for Global Optimization,iscuss a class of potential transformations that greatly increase the attractiveness of low local minima. As a special case, this provides a new approach to an equation proposed by Griewank for global optimization. Practical methods for implementing these ideas are discussed, and the method is applied to three test problems.

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