Convergence analysis of truncated incomplete Hessian Newton minimization method and application in biomolecular potential energy minimization

DOI10.1007/S10589-009-9252-7zbMATH Open1219.90189OpenAlexW2095374904MaRDI QIDQ535293FDOQ535293

Mazen G. Zarrouk, Dexuan Xie

Publication date: 11 May 2011

Published in: Computational Optimization and Applications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10589-009-9252-7

zbMATH Keywords

convergence analysisincomplete Hessian Newton methodmolecular potential minimizationtruncated-Newton method

Mathematics Subject Classification ID

Applications of mathematical programming (90C90) Methods of quasi-Newton type (90C53)

Cites Work

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• Function minimization by conjugate gradients
• Line search algorithms with guaranteed sufficient decrease
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• Matrix computations.
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• Truncated-Newton algorithms for large-scale unconstrained optimization
• Newton-type methods for unconstrained and linearly constrained optimization
• A new minimization protocol for solving nonlinear Poisson-Boltzmann mortar finite element equation
• A First Course in Optimization Theory
• Molecular Modeling of Proteins and Mathematical Prediction of Protein Structure
• TNPACK—A truncated Newton minimization package for large-scale problems
• Remark on Algorithm 702—the updated truncated Newton minimization package
• Efficient Implementation of the Truncated-Newton Algorithm for Large-Scale Chemistry Applications
• Molecular modeling and simulation. An interdisciplinary guide
• Principal component analysis combined with truncated-Newton minimization for dimensionality reduction of chemical databases
• An incomplete Hessian Newton minimization method and its application in a chemical database problem
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• A More Lenient Stopping Rule for Line Search Algorithms
• Computational and Information Science

Uses Software

• TNPACK
• NAMD
• Gromacs
• CHARMM
• GROMOS

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