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Register a new userComputing Free Energies with Fluctuation Relations on Quantum Computers
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Fluctuation relations allow for the computation of equilibrium properties, like free energy, from an ensemble of non-equilibrium dynamics simulations. Computing them for quantum systems, however, can be difficult, as performing dynamic simulations of such systems is exponentially hard on classical computers. Quantum computers can alleviate this hurdle, as they can efficiently simulate quantum systems. Here, we present an algorithm utilizing a fluctuation relation known as the Jarzynski equality to approximate free energy differences of quantum systems on a quantum computer. We discuss under which conditions our approximation becomes exact, and under which conditions it serves as a strict upper bound. Furthermore, we successfully demonstrate a proof-of-concept of our algorithm using the transverse field Ising model on a real quantum processor. The free energy is a central thermodynamic property that allows one to compute virtually any equilibrium property of a physical system. Thus, as quantum hardware continues to improve, our algorithm may serve as a valuable tool in a wide range of applications including the construction of phase diagrams, prediction of transport properties and reaction constants, and computer-aided drug design in the future.
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The non-equilibrium dynamics of quantum many-body systems is one of the most fascinating problems in physics. Open questions range from how they relax to equilibrium to how to extract useful work from them. A critical point lies in assessing whether a system has conserved quantities (or charges), as these can drastically influence its dynamics. Here we propose a general protocol to reveal the existence of charges based on a set of exact relations between out-of-equilibrium fluctuations and equilibrium properties of a quantum system. We apply these generalised quantum fluctuation relations to a driven quantum simulator, demonstrating their relevance to obtain unbiased temperature estimates from non-equilibrium measurements. Our findings will help guide research on the interplay of quantum and thermal fluctuations in quantum simulation, in studying the transition from integrability to chaos and in the design of new quantum devices.
In Newtonian mechanics, any closed-system dynamics of a composite system in a microstate will leave all its individual subsystems in distinct microstates, however this fails dramatically in quantum mechanics due to the existence of quantum entanglement. Here we introduce the notion of a `coherent work process, and show that it is the direct extension of a work process in classical mechanics into quantum theory. This leads to the notion of `decomposable and `non-decomposable quantum coherence and gives a new perspective on recent results in the theory of asymmetry as well as early analysis in the theory of classical random variables. Within the context of recent fluctuation relations, originally framed in terms of quantum channels, we show that coherent work processes play the same role as their classical counterparts, and so provide a simple physical primitive for quantum coherence in such systems. We also introduce a pure state effective potential as a tool with which to analyze the coherent component of these fluctuation relations, and which leads to a notion of temperature-dependent mean coherence, provides connections with multi-partite entanglement, and gives a hierarchy of quantum corrections to the classical Crooks relation in powers of inverse temperature.
We derive a general scheme to obtain quantum fluctuation relations for dynamical observables in open quantum systems. For concreteness we consider Markovian non-unitary dynamics that is unraveled in terms of quantum jump trajectories, and exploit techniques from the theory of large deviations like the tilted ensemble and the Doob transform. Our results here generalise to open quantum systems fluctuation relations previously obtained for classical Markovian systems, and add to the vast literature on fluctuation relations in the quantum domain, but without resorting to the standard two-point measurement scheme. We illustrate our findings with three examples in order to highlight and discuss the main features of our general result.
We formulate exact generalized nonequilibrium fluctuation relations for the quantum mechanical harmonic oscillator coupled to multiple harmonic baths. Each of the different baths is prepared in its own individual (in general nonthermal) state. Starting from the exact solution for the oscillator dynamics we study fluctuations of the oscillator position as well as of the energy current through the oscillator under general nonequilibrium conditions. In particular, we formulate a fluctuation-dissipation relation for the oscillator position autocorrelation function that generalizes the standard result for the case of a single bath at thermal equilibrium. Moreover, we show that the generating function for the position operator fullfills a generalized Gallavotti-Cohen-like relation. For the energy transfer through the oscillator, we determine the average energy current together with the current fluctuations. Finally, we discuss the generalization of the cumulant generating function for the energy transfer to nonthermal bath preparations.
Modeling the dynamics of a quantum system connected to the environment is critical for advancing our understanding of complex quantum processes, as most quantum processes in nature are affected by an environment. Modeling a macroscopic environment on a quantum simulator may be achieved by coupling independent ancilla qubits that facilitate energy exchange in an appropriate manner with the system and mimic an environment. This approach requires a large, and possibly exponential number of ancillary degrees of freedom which is impractical. In contrast, we develop a digital quantum algorithm that simulates interaction with an environment using a small number of ancilla qubits. By combining periodic modulation of the ancilla energies, or spectral combing, with periodic reset operations, we are able to mimic interaction with a large environment and generate thermal states of interacting many-body systems. We evaluate the algorithm by simulating preparation of thermal states of the transverse Ising model. Our algorithm can also be viewed as a quantum Markov chain Monte Carlo (QMCMC) process that allows sampling of the Gibbs distribution of a multivariate model. To demonstrate this we evaluate the accuracy of sampling Gibbs distributions of simple probabilistic graphical models using the algorithm.
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