Reweighting in PIMC enables estimation of linear, nonlinear, and cross-species static density responses purely from unperturbed system simulations.
Kubo, The fluctuation-dissipation theorem, Reports on progress in physics29, 255 (1966)
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Derives nonlinear response relations for Markovian stochastic systems as covariances with a Bell-polynomial conjugate variable set by stochastic entropy production, plus associated fluctuation-response inequalities.
Decomposes entropy production in OU processes into oscillatory and nonnormal parts with associated trade-offs, demonstrated on a bead-spring model.
Numerical study shows that non-linear memory terms are important for dynamics in a model system's generalized Langevin equation and cannot be neglected.
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Reweighting Estimators for Density Response in Path Integral Monte Carlo: Applications to linear, nonlinear and cross-species density response
Reweighting in PIMC enables estimation of linear, nonlinear, and cross-species static density responses purely from unperturbed system simulations.
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Nonlinear Response Relations and Fluctuation-Response Inequalities for Nonequilibrium Stochastic Systems
Derives nonlinear response relations for Markovian stochastic systems as covariances with a Bell-polynomial conjugate variable set by stochastic entropy production, plus associated fluctuation-response inequalities.
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Oscillatory-nonnormal decomposition of dissipation in Ornstein-Uhlenbeck processes
Decomposes entropy production in OU processes into oscillatory and nonnormal parts with associated trade-offs, demonstrated on a bead-spring model.
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How wrong is too wrong: A numerical study on the relevance of positional memory in the generalized Langevin equation
Numerical study shows that non-linear memory terms are important for dynamics in a model system's generalized Langevin equation and cannot be neglected.