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Tracing out the environmental degrees of freedom is a necessary procedure when simulating open quantum systems. While being an essential step in deriving a tractable master equation it represents a loss of information. In situations where there is strong interplay between the system and environmental degrees of freedom this loss makes understanding the dynamics challenging. These dynamics, when viewed in isolation, have no time-local description: they are non-Markovian and memory effects induce complex features that are difficult to interpret. To address this problem, we here show how to use system correlations, calculated by any method, to infer any correlation function of a Gaussian environment, so long as the coupling between system and environment is linear. This not only allows reconstruction of the full dynamics of both system and environment, but also opens avenues into studying the effect of a system on its environment. In order to obtain accurate bath dynamics, we exploit a numerically exact approach to simulating the system dynamics, which is based on the construction and contraction of a tensor network that represents the process tensor of this open quantum system. Using this we are able to find any system correlation function exactly. To demonstrate the applicability of our method we show how heat moves between different modes of a bosonic bath when coupled to a two-level system that is subject to an off-resonant drive.

When a quantum system couples strongly to multiple baths, then it is generally no longer possible to describe the resulting system dynamics by simply adding the individual effects of each bath. However, capturing such multibath system dynamics typically requires approximations that can obscure some of the nonadditive effects. Here we present a numerically exact and efficient technique for tackling this problem that builds on the time-evolving matrix product operator (TEMPO) representation. We test the method by applying it to a simple model system that exhibits nonadditive behavior: a two-level dipole coupled to both a vibrational and an optical bath. Although not directly coupled, there is an effective interaction between the baths mediated by the system that can lead to population inversion in the matter system when the vibrational coupling is strong. We benchmark and validate multibath TEMPO against two approximate methods—one based on a polaron transformation, the other on an identification of a reaction coordinate—before exploring the regime of simultaneously strong vibrational and optical coupling where the approximate techniques break down. Here we uncover a new regime where the quantum Zeno effect leads to a fully mixed state of the electronic system.

We present a numerically exact method to compute the full counting statistics of heat transfer in non-Markovian open quantum systems, which is based on the time-evolving matrix product operator algorithm. This approach is applied to the paradigmatic spin-boson model in order to calculate the mean and fluctuations of the heat transferred to the environment during thermal equilibration. We show that system-reservoir correlations make a significant contribution to the heat statistics at low temperature and present a variational theory that quantitatively explains our numerical results. We also demonstrate a fluctuation-dissipation relation connecting the mean and variance of the heat distribution at high temperature. Our results reveal that system-bath interactions make a significant contribution to heat transfer even when the dynamics of the open system is effectively Markovian. The method presented here provides a flexible and general tool to predict the fluctuations of heat transfer in open quantum systems in nonperturbative regimes.

The dynamics of a wide range of technologically important quantum systems are dominated by their interaction with just a few environmental modes. Such highly structured environments give rise to long-lived bath correlations that induce complex dynamics which are very difficult to simulate. These difficulties are further aggravated when spatial correlations between different parts of the system are important. By modeling the dynamics of a pair of two-level quantum systems in a common, structured, environment we show that a recently developed general purpose numerical approach, the time-evolving matrix product operator, is capable of accurate simulation under exactly these conditions. We find that tuning the separation to match the wavelength of the dominant environmental modes can drastically modify the system dynamics. To further explore this behavior, we show that the full dynamics of the bath can be calculated directly from those of the system, thus allowing us to develop intuition for the complex dynamics observed.