Numerical evaluation of two-time correlation functions in open quantum systems with matrix product state methods: a comparison

Using Liouville space and superoperator formalism we consider pure stationary states of open and dissipative quantum systems. We discuss stationary states of open quantum systems, which coincide with stationary states of closed quantum systems. Open quantum systems with pure stationary states of linear oscillator are suggested. We consider stationary states for the Lindblad equation. We discuss bifurcations of pure stationary states for open quantum systems which are quantum analogs of classical dynamical bifurcations.

We study the quantum Zeno effect (QZE) and quantum anti-Zeno effect (QAZE) of a two-level system interacting with an environment of harmonic oscillators, the spin-boson model. By applying a numerically exact method based on matrix product states, the previously obtained picture on the influence of counter-rotating terms has to be modified: For physical bath initial states, the transition from QZE to QAZE with increasing measurement interval is only absent at weak coupling, while present at strong coupling. Furthermore, we find that the transition occurs always for the widely used bare bath initial state. Within a more realistic measurement scheme where only the qubit is projectively measured, the above scenario for the bare bath initial state remains qualitatively unchanged, apart from accelerated decay for intermediate measurement intervals.

We extend the twin-space formulation of the hierarchical equations of motion approach in combination with the matrix product state representation [R. Borrelli, J. Chem. Phys. 150, 234102 (2019)] to nonequilibrium scenarios where the open quantum system is coupled to a hybrid fermionic and bosonic environment. The key ideas used in the extension are a reformulation of the hierarchical equations of motion for the auxiliary density matrices into a time-dependent Schrödinger-like equation for an augmented multi-dimensional wave function as well as a tensor decomposition into a product of low-rank matrices. The new approach facilitates accurate simulations of non-equilibrium quantum dynamics in larger and more complex open quantum systems. The performance of the method is demonstrated for a model of a molecular junction exhibiting current-induced mode-selective vibrational excitation.

Open quantum systems and study of decoherence are important for our fundamental understanding of quantum physical phenomena. For practical purposes, a large number of quantum protocols exist that exploit quantum resources, e.g., entanglement, which allows us to go beyond what is possible to achieve by classical means. We combine concepts from open quantum systems and quantum information science and give a proof-of-principle experimental demonstration---with teleportation---that it is possible to implement efficiently a quantum protocol via a non-Markovian open system. The results show that, at the time of implementation of the protocol, it is not necessary to have the quantum resource in the degree of freedom used for the basic protocol---as long as there exists some other degree of freedom or the environment of an open system, which contains useful resources. The experiment is based on a pair of photons, where their polarizations act as open system qubits and frequencies as their environments, while the path degree of freedom of one of the photons represents the state of Alice's qubit to be teleported to Bob's polarization qubit.

Coherence and quantum correlations have been identified as fundamental resources for quantum information tasks. As recently shown, these resources can be interconverted. In multipartite systems, entanglement represents a prominent case among quantum correlations, one which can be activated from coherence. All this makes coherence a key resource for securing the operational advantage of quantum technologies. When dealing with open systems, decoherence hinders full exploitation of quantum resources. Here, we present a protocol that allows reaching the maximal achievable amount of coherence in an open quantum system. By implementing our protocol, or suitable variants of it, coherence losses might be fully compensated, thereby leading to coherence revivals. We provide an experimental proof of principle of our protocol through its implementation with an all-optical setup.

Adiabatic elimination methods allow the reduction of the space dimension needed to describe systems whose dynamics exhibit separation of timescale. For open quantum systems, it consists in eliminating the fast part assuming it has almost instantaneously reached its steady state and obtaining an approximation of the evolution of the slow part. These methods can be applied to eliminate a linear subspace within the system Hilbert space or, alternatively, to eliminate a fast subsystem in a bipartite quantum system. In this work, we extend an adiabatic elimination method used for removing fast degrees of freedom within a system [Phys. Rev. A 101, 042102 (2020)] to eliminate a subsystem from an open bipartite quantum system. As an illustration, we apply our technique to a dispersively coupled two-qubit system and in the case of the open Rabi model.

A longstanding tool to characterize the evolution of open Markovian quantum systems is the GKSL (Gorini-Kossakowski-Sudarshan-Lindblad) master equation. However, in some cases, open quantum systems can be effectively described with non-Hermitian Hamiltonians, which have attracted great interest in the last twenty years due to a number of unconventional properties, such as the appearance of exceptional points. Here, we present a short review of these two different approaches aiming in particular to highlight their relation and illustrate different ways of connecting non-Hermitian Hamiltonian to a GKSL master equation for the full density matrix.

Quantum computing is attracting more and more attention in material and biological science. In the noisy intermediate-scale quantum (NISQ) computing era, the variational quantum eigensolver (VQE) is expected as an effective method to solve quantum chemistry problems which has potential quantum advantage. Classically simulating quantum algorithms plays a critical role in algorithmic development and the validation of noisy quantum devices before large-scale, fully fault-tolerant quantum computers are developed. However, most existing simulators are based on the state vector or density matrix representation of the quantum state which is faced with the memory bottleneck due to the exponential growth of memory requirement as the number of qubits increases. In this work, we present a VQE simulator based on the matrix product states (MPS) method from quantum many-body physics, and a detailed study of our MPS-VQE simulator in quantum chemistry applications. The memory requirement of MPS-VQE grows only polynomially and we demonstrate that accurate results can be obtained despite the truncation of the smallest singular values during the algorithm. A distributed parallelization scheme is also presented for massively parallel computer systems, and different implementations of the parallelization scheme based on the Julia language are benchmarked which demonstrate the efficiency and scalability of our method. Our method could open a new avenue towards large-scale classical simulation of quantum computational chemistry.

Photovoltaic devices, electrochemical cells, catalysis processes, light emitting diodes, scanning tunneling microscopes, molecular electronics, and related devices have one thing in common: open quantum systems where energy and matter are not conserved. Traditionally quantum chemistry is confined to isolated and closed systems, while quantum dissipation theory studies open quantum systems. The key quantity in quantum dissipation theory is the reduced system density matrix. As the reduced system density matrix is an O(M! × M!) matrix, where M is the number of the particles of the system of interest, quantum dissipation theory can only be employed to simulate systems of a few particles or degrees of freedom. It is thus important to combine quantum chemistry and quantum dissipation theory so that realistic open quantum systems can be simulated from first-principles. We have developed a first-principles method to simulate the dynamics of open electronic systems, the time-dependent density functional theory for open systems (TDDFT-OS). Instead of the reduced system density matrix, the key quantity is the reduced single-electron density matrix, which is an N × N matrix where N is the number of the atomic bases of the system of interest. As the dimension of the key quantity is drastically reduced, the TDDFT-OS can thus be used to simulate the dynamics of realistic open electronic systems and efficient numerical algorithms have been developed. As an application, we apply the method to study how quantum interference develops in a molecular transistor in time domain. We include electron-phonon interaction in our simulation and show that quantum interference in the given system is robust against nuclear vibration not only in the steady state but also in the transient dynamics. As another application, by combining TDDFT-OS with Ehrenfest dynamics, we study current-induced dissociation of water molecules under scanning tunneling microscopy and follow its time dependent dynamics. Given the rapid development in ultrafast experiments with atomic resolution in recent years, time dependent simulation of open electronic systems will be useful to gain insight and understanding of such experiments. This Account will mainly focus on the practical aspects of the TDDFT-OS method, describing the numerical implementation and demonstrating the method with applications.

Within the framework of probability distributions on projective Hilbert space a scheme for the calculation of multitime correlation functions is developed. The starting point is the Markovian stochastic wave function description of an open quantum system coupled to an environment consisting of an ensemble of harmonic oscillators in arbitrary pure or mixed states. It is shown that matrix elements of reduced Heisenberg picture operators and general time-ordered correlation functions can be expressed by time-symmetric expectation values of extended operators in a doubled Hilbert space. This representation allows the construction of a stochastic process in the doubled Hilbert space which enables the determination of arbitrary matrix elements and correlation functions. The numerical efficiency of the resulting stochastic simulation algorithm is investigated and compared with an alternative Monte Carlo wave function method proposed first by Dalibard et al. [Phys. Rev. Lett. {\bf 68}, 580 (1992)]. By means of a standard example the suggested algorithm is shown to be more efficient numerically and to converge faster. Finally, some specific examples from quantum optics are presented in order to illustrate the proposed method, such as the coupling of a system to a vacuum, a squeezed vacuum within a finite solid angle, and a thermal mixture of coherent states.

Lie-semigroup structures for reachability and control of open quantum systems: kossakowski-lindblad generators form lie wedge to markovian channels

Estimation of physical parameters is essential in almost any part of science and technology. The enhancement of performance in this task (e.g. beating the standard classical shot-noise limit) using available physical resources is a major goal in metrology. Quantum metrology in closed systems has indicated that entanglement in such systems may be a useful resource. However, whether in open quantum systems such enhancements may still show up is not yet fully understood. Here, we consider a dissipative (open) quantum system of identical particles in which a parameter of the open dynamics itself is to be estimated. We employ a recently developed dissipative quantum metrology framework, and investigate whether the entanglement produced in the course of the dissipative dynamics may help the estimation task. Specifically, we show that, even in a Markovian dynamics in which states become less distinguishable in time, at small enough times the entanglement generated by the dynamics may offer some advantage over the classical shot-noise limit.

This report on progress explores recent advances in our theoretical and experimental understanding of the physics of open quantum systems (OQSs). The study of such systems represents a core problem in modern physics that has evolved to assume an unprecedented interdisciplinary character. OQSs consist of some localized, microscopic, region that is coupled to an external environment by means of an appropriate interaction. Examples of such systems may be found in numerous areas of physics, including atomic and nuclear physics, photonics, biophysics, and mesoscopic physics. It is the latter area that provides the main focus of this review, an emphasis that is driven by the capacity that exists to subject mesoscopic devices to unprecedented control. We thus provide a detailed discussion of the behavior of mesoscopic devices (and other OQSs) in terms of the projection-operator formalism, according to which the system under study is considered to be comprised of a localized region (Q), embedded into a well-defined environment (P) of scattering wavefunctions (with Q + P = 1). The Q subspace must be treated using the concepts of non-Hermitian physics, and of particular interest here is: the capacity of the environment to mediate a coupling between the different states of Q; the role played by the presence of exceptional points (EPs) in the spectra of OQSs; the influence of EPs on the rigidity of the wavefunction phases, and; the ability of EPs to initiate a dynamical phase transition (DPT). EPs are singular points in the continuum, at which two resonance states coalesce, that is where they exhibit a non-avoided crossing. DPTs occur when the quantum dynamics of the open system causes transitions between non-analytically connected states, as a function of some external control parameter. Much like conventional phase transitions, the behavior of the system on one side of the DPT does not serve as a reliable indicator of that on the other. In addition to discussing experiments on mesoscopic quantum point contacts that provide evidence of the environmentally-mediated coupling of quantum states, we also review manifestations of DPTs in mesoscopic devices and other systems. These experiments include observations of resonance-trapping behavior in microwave cavities and open quantum dots, phase lapses in tunneling through single-electron transistors, and spin swapping in atomic ensembles. Other possible manifestations of this phenomenon are presented, including various superradiant phenomena in low-dimensional semiconductors. From these discussions a generic picture of OQSs emerges in which the environmentally-mediated coupling between different quantum states plays a critical role in governing the system behavior. The ability to control or manipulate this interaction may even lead to new applications in photonics and electronics.

Information scrambling refers to the phenomenon in which local quantum information in a many-body system becomes dispersed throughout the entire system under unitary evolution. It has been extensively studied in closed quantum systems, where it is quantified by operator size growth, revealing deep connections between condensed matter physics, high-energy physics, and quantum information. However, when extending the study of operator size dynamics to open quantum systems, two different definitions of operator size distributions emerge. These definitions are based on different treatments of the bath. In this work, we aim to establish a unified picture for operator size dynamics in open quantum systems, using the solvable Brownian SYK models at generic system size. In particular, we provide the conditions under which the signature of scrambling transition — discovered using one particular definition — appears in operator size dynamics under the other definition. Additionally, we extend previous studies by exploring finite-size effects that are not captured by the scramblon theory. Our results provide a refined understanding of operator size dynamics in open quantum systems.

We present a consistent optimization procedure for the optical measurements in open quantum systems using recently developed incoherent control protocol. Assigning an effective hot bath for the two-entangled-photon pump we recast the transmission of classical probe as a work in a quantum heat engine framework. We demonstrate that maximum work in such a heat engine can exceed that for the classical two-photon and one-photon pumps, while efficiency at maximum power can be attributed to conventional boundaries obtained for the three-level maser heat engine. Our results pave the way for incoherent control and optimization of optical measurements in open quantum systems that involve two-photon processes with quantum light.