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Hierarchical optimization for neutron scattering problems
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DOI：10.1016/j.jcp.2016.03.017.png)
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Abstract
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We present a scalable optimization method for neutron scattering problems that determines confidence regions of simulation parameters in lattice dynamics models used to fit neutron scattering data for crystalline solids. The method uses physics-based hierarchical dimension reduction in both the computational simulation domain and the parameter space. We demonstrate for silicon that after a few iterations the method converges to parameters values (interatomic force-constants) computed with density functional theory simulations. Published by Elsevier Inc.
Keywords:
Neutron scattering
Model reduction
Global optimization
Stochastic
Confidence distribution
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