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Science Advances

Many-body thermodynamics on quantum computers via partition function zeros

Akhil Francis, Daiwei Zhu, C. Huerta Alderete, Sonika Johri, Xiao Xiao, James K. Freericks, Christopher R. Monroe, Norbert M. Linke, Alexander F. Kemper

Published Aug 18, 2021• 43 citations
Publisher

Abstract

Partition functions are ubiquitous in physics: They are important in determining the thermodynamic properties of many-body systems and in understanding their phase transitions. As shown by Lee and Yang, analytically continuing the partition function to the complex plane allows us to obtain its zeros and thus the entire function. Moreover, the scaling and nature of these zeros can elucidate phase transitions. Here, we show how to find partition function zeros on noisy intermediate-scale trapped-ion quantum computers in a scalable manner, using the XXZ spin chain model as a prototype, and observe their transition from XY-like behavior to Ising-like behavior as a function of the anisotropy. While quantum computers cannot yet scale to the thermodynamic limit, our work provides a pathway to do so as hardware improves, allowing the future calculation of critical phenomena for systems beyond classical computing limits.

DOI
10.1126/sciadv.abf2447

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Partition functions are ubiquitous in physics: They are important in determining the thermodynamic properties of many-body systems and in understanding their phase transitions. As shown by Lee and Yang, analytically continuing the partition function to the complex plane allows us to obtain its zeros and thus the entire function. Moreover, the scaling and nature of these zeros can elucidate phase transitions. Here, we show how to find partition function zeros on noisy intermediate-scale trapped-ion quantum computers in a scalable manner, using the XXZ spin chain model as a prototype, and observe their transition from XY-like behavior to Ising-like behavior as a function of the anisotropy. While quantum computers cannot yet scale to the thermodynamic limit, our work provides a pathway to do so as hardware improves, allowing the future calculation of critical phenomena for systems beyond classical computing limits.
Partition functions are ubiquitous in physics: They are important in determining the thermodynamic properties of many-body systems and in understanding their phase transitions. As shown by Lee and Yang, analytically continuing the partition function to the complex plane allows us to obtain its zeros and thus the entire function. Moreover, the scaling and nature of these zeros can elucidate phase transitions. Here, we show how to find partition function zeros on noisy intermediate-scale trapped-ion quantum computers in a scalable manner, using the XXZ spin chain model as a prototype, and observe their transition from XY-like behavior to Ising-like behavior as a function of the anisotropy. While quantum computers cannot yet scale to the thermodynamic limit, our work provides a pathway to do so as hardware improves, allowing the future calculation of critical phenomena for systems beyond classical computing limits.
Interacting quantum systems illustrate complex phenomena including phase transitions to novel ordered phases. The universal nature of critical phenomena reduces their description to determining only the transition temperature and the critical exponents. Numerically calculating these results for systems in new universality classes is complicated due to critical slowing down, requiring increasing resources near the critical point. An alternative approach analytically continues the calculation onto the complex plane and determines the partition function via its zeros. Here we show how to robustly perform this analysis on noisy intermediate scale trapped ion quantum computers in a scalable manner, using the XXZ model as a prototype. We illustrate the transition from XY-like behavior to Ising-like behavior as a function of the anisotropy. While quantum computers cannot yet scale to the thermodynamic limit, our work provides a pathway to do so as hardware improves, allowing the determination of critical phenomena for systems that cannot be solved otherwise.
Determining the phase diagram of interacting quantum many-body systems is an important task for a wide range of problems such as the understanding and design of quantum materials. For classical equilibrium systems, the Lee-Yang formalism provides a rigorous foundation of phase transitions, and these ideas have also been extended to the quantum realm. Here, we develop a Lee-Yang theory of quantum phase transitions that can include thermal fluctuations caused by a finite temperature, and it thereby provides a link between the classical Lee-Yang formalism and recent theories of phase transitions at zero temperature. Our methodology exploits analytic properties of the moment generating function of the order parameter in systems of finite size, and it can be implemented in combination with tensor-network calculations. Specifically, the onset of a symmetry-broken phase is signaled by the zeros of the moment generating function approaching the origin in the complex plane of a counting field that couples to the order parameter. Moreover, the zeros can be obtained by measuring or calculating the high cumulants of the order parameter. We determine the phase diagram of the two-dimensional quantum Ising model and thereby demonstrate the potential of our method to predict the critical behavior of two-dimensional quantum systems at finite temperatures.
While the zeros of complex partition functions, such as Lee-Yang zeros and Fisher zeros, have been pivotal in characterizing temperature-driven phase transitions, extending this concept to zero temperature remains an open question. In this work, we propose a solution to this issue by calculating the imaginary-temperature zeros (ITZs), which are defined as the roots of the imaginary-temperature partition function. We illustrate the analytical properties of ITZs in the transverse-field Ising chain, showing that the ITZs' distribution can distinguish between various phases and signify the critical exponents. Universal singular behaviors manifest in such quantities as the edge density of ITZs and the magnetization, with the scaling exponents remarkably differing from those in Lee-Yang theory. We further illuminate the consistency between ITZs and the zeros of the spectral form factor, which offers a practical path for the experimental detection of ITZs.
We present a quasi-polynomial time classical algorithm that estimates the partition function of quantum many-body systems at temperatures above the thermal phase transition point. It is known that in the worst case, the same problem is NP-hard below this point. Together with our work, this shows that the transition in the phase of a quantum system is also accompanied by a transition in the hardness of approximation. We also show that in a system of n particles above the phase transition point, the correlation between two observables whose distance is at least Ω(logn) decays exponentially. We can improve the factor of logn to a constant when the Hamiltonian has commuting terms or is on a 1D chain. The key to our results is a characterization of the phase transition and the critical behavior of the system in terms of the complex zeros of the partition function. Our work extends a seminal work of Dobrushin and Shlosman on the equivalence between the decay of correlations and the analyticity of the free energy in classical spin models. On the algorithmic side, our result extends the scope of a recent approach due to Barvinok for solving classical counting problems to quantum many-body systems.
Studying the zeros of partition functions in the space of complex control parameters allows one to understand formally how critical behavior of a many-body system can arise in the thermodynamic limit despite various no-go theorems for finite systems. In this work we propose protocols that can be realized in quantum simulators to measure the location of complex-partition-function zeros of classical Ising models. The protocols are solely based on the implementation of simple two-qubit gates, local spin rotations, and projective measurements along two orthogonal quantization axes. Besides presenting numerical simulations of the measurement outcomes for an exemplary classical model, we discuss the effect of projection noise and the feasibility of the implementation on state of the art platforms for quantum simulation.