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Optimization problems occurring regularly in chemistry, vary from selecting the best wavelength design for optimal spectroscopic concentration predictions to geometry optimization of atomic clusters and protein folding. Numerous optimization tactics have been explored to solve these problems. While most optimizers maintain the ability to locate global optima for simple problems, few are robust against local optima convergence with regard to difficult or large scale optimization problems. Simulated annealing (SA) has shown a great tolerance to local optima convergence and is often called a glob
Chemistry --- Simulated annealing (Mathematics) --- Algorithm, Annealing --- Algorithm, Probabilistic exchange --- Annealing, Monte Carlo --- Annealing, Simulated --- Annealing algorithm --- Cooling, Statistical --- Exchange algorithm, Probabilistic --- Hill climbing, Probabilistic --- Monte Carlo annealing --- Probabilistic exchange algorithm --- Probabilistic hill climbing --- Relaxation, Stochastic --- Statistical cooling --- Stochastic relaxation --- Combinatorial optimization --- Mathematics.
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Optimization problems occurring regularly in chemistry, vary from selecting the best wavelength design for optimal spectroscopic concentration predictions to geometry optimization of atomic clusters and protein folding. Numerous optimization tactics have been explored to solve these problems. While most optimizers maintain the ability to locate global optima for simple problems, few are robust against local optima convergence with regard to difficult or large scale optimization problems. Simulated annealing (SA) has shown a great tolerance to local optima convergence and is often called a glob
Chemistry --- Simulated annealing (Mathematics) --- Mathematics.
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Spectrometric and optical chemical analysis --- fysicochemie
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