Shape optimization of a timescale separation metric, using analytic variations of Dirichlet eigenvalues for reversible diffusions, yields improved metastable state definitions validated on a biomolecular benchmark.
Simon, Semiclassical analysis of low lying eigenvalues
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Shape optimization of metastable states
Shape optimization of a timescale separation metric, using analytic variations of Dirichlet eigenvalues for reversible diffusions, yields improved metastable state definitions validated on a biomolecular benchmark.