Optimization methods for computing global minima of nonconvex potential energy functions
DOI10.1007/BF01096719zbMATH Open0797.90115OpenAlexW2050069452MaRDI QIDQ1319002FDOQ1319002
Panos M. Pardalos, Guoliang Xue, David Shalloway
Publication date: 12 April 1994
Published in: Journal of Global Optimization (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/bf01096719
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simulated annealingparallel algorithmsproteinsmolecular conformationmolecular clustersminimization of potential energy functions
Parallel numerical computation (65Y05) Applications of mathematical programming (90C90) Biochemistry, molecular biology (92C40) Nonconvex programming, global optimization (90C26)
Cites Work
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- Preconditioning of Truncated-Newton Methods
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- A Fast Adaptive Multipole Algorithm for Particle Simulations
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Cited In (19)
- Fast evaluation of potential and force field in particle systems using a fair-split tree spatial structure
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- Parallel algorithms for global optimization problems
- Potential Function-Based Framework for Minimizing Gradients in Convex and Min-Max Optimization
- A continuous variable neighborhood search heuristic for finding the three-dimensional structure of a molecule
- Modifications of real code genetic algorithm for global optimization
- A new hybrid method for solving global optimization problem
- Global energy minimization of alanine dipeptide via barrier function methods
- Interval analysis applied to gobal minimization of potential energy functions.
- Analytic evaluation of the gradient and Hessian of molecular potential energy functions
- An iterative global optimization algorithm for potential energy minimization
- Global minimum potential energy conformations of small molecules
- Techniques for Speeding up H-Core Protein Fitting
- Optimal atomic-resolution structures of prion AGAAAAGA amyloid fibrils
- A branch-and-reduce approach to global optimization
- A function to test methods applied to global minimization of potential energy of molecules
- Simple energy minimization for huge Lennard-Jones clusters by dramatic parameter reduction
- PDoublePop: an implementation of parallel genetic algorithm for function optimization
- A GA-simplex hybrid algorithm for global minimization of molecular potential energy functions
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