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arXiv · 2603.26275

Nonequilibrium ensemble averages using nonlinear response relations

Manuel Santos-Gutierrez·Valerio Lucarini·John Moroney·Niccolo Zagli
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Abstract

The transient time correlation function (TTCF) method is widely used in molecular fluids to compute non-equilibrium transport quantities, providing improved signal-to-noise ratios in ensemble averages without requiring prohibitively large sample sizes. In spite of its success in molecular and turbulent fluid systems, the method has not been systematically explored for more general non-equilibrium dynamical systems, including geophysical applications where the invariant measure is typically unknown. In this work, we present an analytical and numerical investigation of the TTCF method for computing nonlinear response functions in systems far from equilibrium. We discuss its relation to the spectral theory of stochastic systems, highlighting regimes where linear theory is insufficient and the advantages of TTCF. The aim of this work is to provide a framework for studying transient and steady-state responses using the TTCF approach in a broad class of nonequilibrium systems.

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Manuel Santos-Gutierrez, Valerio Lucarini, John Moroney, Niccolo Zagli. 2026-03-27. Nonequilibrium ensemble averages using nonlinear response relations. https://arxiv.org/abs/2603.26275

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