System-environment Interaction Research Articles

Integrating Self-Initialized Local Thermalizing Lindblad Operators for Variational Quantum Algorithm with Quantum Jump: Implementation and Performance.

Quantum computing holds great potential for simulating quantum systems, such as molecular systems, due to its inherent ability to represent and manipulate quantum states. However, simulating nonunitary dynamics of open quantum systems on a quantum computer is still challenging. Here, we present a scheme denoted as VQS-QJ-LTLME, which adopts the trajectory average of quantum jump Monte Carlo wave function variational evolution to evolve the system's density matrix and local thermalizing Lindblad operators to describe the system-environment interactions. This combination allows the quantum circuit to be initialized after a period of evolution, thereby eliminating the accumulation of errors. The VQS-QJ-LTLME algorithm requires only log2(n) qubits for system size n and holds a time complexity of , making it particularly suitable for operation on noisy intermediate-scale quantum devices. To accelerate the Monte Carlo sampling process in VQS-QJ-LTLME, we introduce an efficient sampling method, named No-evolution sampling (NES). The VQS-QJ-LTLME aided by NES requires simulating only n3 + 1 trajectories on quantum computers, and then makes 106 to 107 samplings on classical computers in a few seconds. To demonstrate the performance of the VQS-QJ-LTLME algorithm, we simulate the dynamics of a two-level spin-boson model and a four-level reduced Fenna-Matthews-Olson system with real superconducting quantum computers and classical simulators. It is shown that the simulations produced by VQS-QJ-LTLME algorithm align closely with those obtained from the purely classical methods.

Effective modeling of open quantum systems by low-rank discretization of structured environments.

The accurate description of the interaction of a quantum system with its environment is a challenging problem ubiquitous across all areas of physics and lies at the foundation of quantum mechanics theory. Here, we pioneer a new strategy to create discrete low-rank models of the system-environment interaction, by exploiting the frequency and time domain information encoded in the fluctuation-dissipation relation connecting the system-bath correlation function and the spectral density. We demonstrate the effectiveness of our methodology by combining it with tensor-network methodologies and simulating the quantum dynamics of complex excitonic systems in a highly structured bosonic environment. The new modeling framework sets the basis for a leap in the analysis of open quantum systems, providing controlled accuracy at significantly reduced computational costs, with benefits in all connected research areas.

Non-Hermitian pseudomodes for strongly coupled open quantum systems: Unravelings, correlations, and thermodynamics

The pseudomode framework provides an exact description of the dynamics of an open quantum system coupled to a non-Markovian environment. Using this framework, the influence of the environment on the system is studied in an equivalent model, where the open system is coupled to a finite number of unphysical pseudomodes that follow a time-local master equation. Building on the insight that this master equation does not need to conserve the hermiticity of the pseudomode state, we here ask for the most general conditions on the master equation that guarantee the correct reproduction of the system's original dynamics. We demonstrate that our generalized approach decreases the number of pseudomodes that are required to model, for example, underdamped environments at finite temperature. We also provide an unraveling of the master equation into quantum jump trajectories of non-Hermitian states, which further facilitates the utilization of the pseudomode technique for numerical calculations by enabling the use of easily parallelizable Monte Carlo simulations. Finally, we show that pseudomodes, despite their unphysical nature, provide a natural picture in which physical processes, such as the creation of system-bath correlations or the exchange of heat, can be studied. Hence, our results pave the way for future investigations of the system-environment interaction leading to a better understanding of open quantum systems far from the Markovian weak-coupling limit. Published by the American Physical Society 2024

Steady-state entanglement production in a quantum thermal machine with continuous feedback control

Quantum thermal machines can generate steady-state entanglement by harvesting spontaneous interactions with local environments. However, using minimal resources and control, the entanglement is typically weak. Here, we study entanglement generation in a two-qubit quantum thermal machine in the presence of a continuous feedback protocol. Each qubit is measured continuously and the outcomes are used for real-time feedback to control the local system-environment interactions. We show that there exists an ideal operation regime where the quality of entanglement is significantly improved, to the extent that it can violate standard Bell inequalities and uphold quantum teleportation. In agreement with (Khandelwal et al 2020 New J. Phys. 22 073039), we also find, for ideal operation, that the heat current across the system is proportional to the entanglement concurrence. Finally, we investigate the robustness of entanglement production when the machine operates away from the ideal conditions.

Spectral density classification for environment spectroscopy

Spectral densities encode the relevant information characterizing the system–environment interaction in an open-quantum system problem. Such information is key to determining the system’s dynamics. In this work, we leverage the potential of machine learning techniques to reconstruct the features of the environment. Specifically, we show that the time evolution of a system observable can be used by an artificial neural network to infer the main features of the spectral density. In particular, for relevant examples of spin-boson models, we can classify with high accuracy the Ohmicity parameter of the environment as either Ohmic, sub-Ohmic or super-Ohmic, thereby distinguishing between different forms of dissipation.

Integrating subsystem embedding subalgebras and coupled cluster Green’s function: a theoretical foundation for quantum embedding in excitation manifold

In this study, we introduce a novel approach to coupled-cluster Green’s function (CCGF) embedding by seamlessly integrating conventional CCGF theory with the state-of-the-art sub-system embedding sub-algebras coupled cluster (SES-CC) formalism. This integration focuses primarily on delineating the characteristics of the sub-system and the corresponding segments of the Green’s function, defined explicitly by active orbitals. Crucially, our work involves the adaptation of the SES-CC paradigm, addressing the left eigenvalue problem through a distinct form of Hamiltonian similarity transformation. This advancement not only facilitates a comprehensive representation of the interaction between the embedded sub-system and its surrounding environment but also paves the way for the quantum mechanical description of multiple embedded domains, particularly by employing the emergent quantum flow algorithms. Our theoretical underpinnings further set the stage for a generalization to multiple embedded sub-systems. This expansion holds significant promise for the exploration and application of non-equilibrium quantum systems, enhancing the understanding of system–environment interactions. In doing so, the research underscores the potential of SES-CC embedding within the realm of quantum computations and multi-scale simulations, promising a good balance between accuracy and computational efficiency.

Investigating the dissipation of heat and quantum information from DNA-scaffolded chromophore networks.

Scaffolded molecular networks are important building blocks in biological pigment-protein complexes, and DNA nanotechnology allows analogous systems to be designed and synthesized. System-environment interactions in these systems are responsible for important processes, such as the dissipation of heat and quantum information. This study investigates the role of nanoscale molecular parameters in tuning these vibronic system-environment dynamics. Here, genetic algorithm methods are used to obtain nanoscale parameters for a DNA-scaffolded chromophore network based on comparisons between its calculated and measured optical spectra. These parameters include the positions, orientations, and energy level characteristics within the network. This information is then used to compute the dynamics, including the vibronic population dynamics and system-environment heat currents, using the hierarchical equations of motion. The dissipation of quantum information is identified by the system's transient change in entropy, which is proportional to the heat currents according to the second law of thermodynamics. These results indicate that the dissipation of quantum information is highly dependent on the particular nanoscale characteristics of the molecular network, which is a necessary first step before gleaning the systematic optimization rules. Subsequently, the I-concurrence dynamics are calculated to understand the evolution of the vibronic system's quantum entanglement, which are found to be long-lived compared to these system-bath dissipation processes.

Quantum reading of quantum information

We extend the notion of quantum reading to the case where the information to be retrieved, which is encoded into a set of quantum channels, is of quantum nature. We use two-qubit unitaries describing the system-environment interaction, with the initial environment state determining the system’s input-output channel and hence the encoded information. The performance of the most relevant two-qubit unitaries is determined with two different approaches: (i) one-shot quantum capacity of the channel arising between environment and system’s output; (ii) estimation of parameters characterizing the initial quantum state of the environment. The obtained results are mostly in (qualitative) agreement, with some distinguishing features that include the CNOT unitary.

An efficient Julia framework for hierarchical equations of motion in open quantum systems

The hierarchical equations of motion (HEOM) approach can describe the reduced dynamics of a system simultaneously coupled to multiple bosonic and fermionic environments. The complexity of exactly describing the system-environment interaction with the HEOM method usually results in time-consuming calculations and a large memory cost. Here, we introduce an open-source software package called HierarchicalEOM.jl: a Julia framework integrating the HEOM approach. HierarchicalEOM.jl features a collection of methods to compute bosonic and fermionic spectra, stationary states, and the full dynamics in the extended space of all auxiliary density operators (ADOs). The required handling of the ADOs multi-indexes is achieved through a user-friendly interface. We exemplify the functionalities of the package by analyzing a single impurity Anderson model, and an ultra-strongly coupled charge-cavity system interacting with bosonic and fermionic reservoirs. HierarchicalEOM.jl achieves a significant speedup with respect to the corresponding method in the Quantum Toolbox in Python (QuTiP), upon which this package is founded.

Universal Scaling Bounds on a Quantum Heat Current.

In this Letter, we derive new bounds on a heat current flowing into a quantum L-particle system coupled with a Markovian environment. By assuming that a system Hamiltonian and a system-environment interaction Hamiltonian are extensive in L, we prove that the absolute value of the heat current scales at most as Θ(L^{3}) in a limit of large L. Furthermore, we present an example of noninteracting particles globally coupled with a thermal bath, for which this bound is saturated in terms of scaling. However, the construction of such a system requires many-body interactions induced by the environment, which may be difficult to realize with the existing technology. To consider more feasible cases, we consider a class of the system where any nondiagonal elements of the noise operator (derived from the system-environment interaction Hamiltonian) become zero in the system energy basis, if the energy difference exceeds a certain value ΔE. Then, for ΔE=Θ(L^{0}), we derive another scaling bound Θ(L^{2}) on the absolute value of the heat current, and the so-called superradiance belongs to a class for which this bound is saturated. Our results are useful for evaluating the best achievable performance of quantum-enhanced thermodynamic devices, including far-reaching applications such as quantum heat engines, quantum refrigerators, and quantum batteries.

New Density Matrix Renormalization Group Approaches for Strongly Correlated Systems Coupled with Large Environments.

Thanks to the high compression of the matrix product state (MPS) form of the wave function and the efficient site-by-site iterative sweeping optimization algorithm, the density matrix normalization group (DMRG) and its time-dependent variant (TD-DMRG) have been established as powerful computational tools in accurately simulating the electronic structure and quantum dynamics of strongly correlated molecules with a large number (101-2) of quantum degrees of freedom (active orbitals or vibrational modes). However, the quantitative characterization of the quantum many-body behaviors of realistic strongly correlated systems requires a further consideration of the interaction between the embedded active subsystem and the remaining correlated environment, e.g., a larger number (102-3) of external orbitals in electronic structure or infinite condensed-phase phononic modes in nucleus dynamics. To this end, we introduced three new post-DMRG and TD-DMRG approaches, namely (1) DMRG2sCI-MRCI and DMRG2sCI-ENPT by the reconstruction of selected configuration interaction (sCI) type of compact reference function from DMRG coefficients and the use of externally contracted MRCI (multireference configuration interaction) and Epstein-Nesbet perturbation theory (ENPT), without recourse to the expensive high order n-electron reduced density matrices (n-RDMs). (2) DMRG combined with RR-MRCI (renormalized residue-based MRCI), which improves the computational accuracy and efficiency of internally contracted (ic) MRCI by renormalizing the contracted bases with small-sized buffer environment(s) of a few external orbitals as probes based on quantum information theory. (3) HM (hierarchical mapping)-TD-DMRG in which a large environment is reduced to a small number of renormalized environmental modes (which accounts for the most vital system-environment interactions) through stepwise mapping transformation. These advances extend the efficacy of highly accurate DMRG/TD-DMRG computations to the quantitative characterization of the electronic structure and quantum dynamics in realistic strongly correlated systems coupled with large environments and are reviewed in this paper.

A century of comparative biomechanics: emerging and historical perspectives on an interdisciplinary field.

A century of comparative biomechanics: emerging and historical perspectives on an interdisciplinary field.

Selective and Efficient Quantum Process Tomography for Non-Trace-Preserving Maps: Implementation with a Superconducting Quantum Processor

Alternatively to the full reconstruction of an unknown quantum process, the so-called selective and efficient quantum process tomography (SEQPT) allows estimating, individually and up to the required accuracy, a given element of the matrix that describes such an operation with a polynomial amount of resources. The implementation of this protocol has been carried out with success to characterize the evolution of a quantum system that is well described by a trace-preserving quantum map. Here, we deal with a more general type of quantum process that does not preserve the trace of the input quantum state, which naturally arises in the presence of imperfect devices and system-environment interactions, in the context of quantum information science or quantum dynamics control. In that case, we show with the aid of a priori information on the losses structure of the quantum channel that the SEQPT reconstruction can be adapted to reconstruct the non-trace-preserving map. We explicitly describe how to implement the reconstruction in an arbitrary Hilbert space of finite dimension $d$. The method is experimentally verified on a superconducting quantum processor provided by IBM Quantum services, by estimating several non-trace-preserving quantum processes in dimensions up to $d=6$. Our results show that it is possible to efficiently reconstruct non-trace-preserving processes, with high precision, and with significantly higher fidelity than when the process is assumed to be trace preserving.

Quantum interferometric power and non-Markovianity in the decoherence channels

In quantum open systems, non-Markovianity is an important phenomenon that allows a backflow of information from the environment to the system. In this work, we investigate the non-Markovianity problems in two different types of channels, where the system–environment interactions are treated with and without the rotating-wave approximation (RWA). We employ the quantum interferometric power (QIP) to quantify the non-Markovian dynamics, which is the minimal quantum Fisher information obtained by the local unitary evolution in a bipartite system. By the hierarchy equation method, we calculate the dynamical evolution of the QIP in the non-RWA case. The results show that the dynamical behavior under the non-RWA is significantly different from that under the RWA in both weak and strong coupling. Moreover, in the non-RWA case, we also find the nonmonotonic behavior of the non-Markovianity measure with the variation of coupling strength, which is caused by the competition between the rotating-wave terms and the counterrotating-wave terms. As a result, we highlight the importance of the counterrotating-wave terms for the influence of non-Markovianity.

Current-induced forces in nanosystems: A hierarchical equations of motion approach

An approach to calculating current-induced forces in charge transport through nanosystems is introduced. Starting from the fully quantum mechanical hierarchical equations of motion formalism, a timescale separation between electronic and vibrational degrees of freedom is used to derive a classical Langevin equation of motion for the vibrational dynamics as influenced by current-induced forces, such as the electronic friction. The resulting form of the friction is shown to be equivalent to previously derived expressions. The numerical exactness of the hierarchical equations of motion approach, however, allows the investigation of transport scenarios with strong intrasystem and system-environment interactions. As a demonstration, the electronic friction of three example systems is calculated and analyzed: a single electronic level coupled to one classical vibrational mode, an Anderson impurity model coupled to one classical vibrational mode, and a single electronic level coupled to both a classical and quantum vibrational mode.

Electric current in a translation invariant environment

The master equation for the reduced density matrix of a charged particle interacting with a translation invariant weakly coupled environment is considered. The electric current is renormalized by the system-environment interaction, leading to a direct signature of the environment in the bremsstrahlung. The general solution is given in the absence of the external electromagnetic field, and the spread and the decoherence of a wave packet are followed. The increased complexity and importance of the boundary conditions for the density matrix are pointed out.

Hierarchical Mapping for Efficient Simulation of Strong System-Environment Interactions.

Quantum dynamics (QD) simulation is a powerful tool for interpreting ultrafast spectroscopy experiments and unraveling their microscopic mechanism in out-of-equilibrium excited state behaviors in various chemical, biological, and material systems. Although state-of-the-art numerical QD approaches such as the time-dependent density matrix renormalization group (TD-DMRG) already greatly extended the solvable system size of general linearly coupled exciton-phonon models with up to a few hundred phonon modes, the accurate simulation of larger system sizes or strong system-environment interactions is still computationally highly challenging. Based on quantum information theory (QIT), in this work, we realize that only a small number of effective phonon modes couple to the excitonic system directly regardless of a large or even infinite number of modes in the condensed phase environment. On top of the identified small number of direct effective modes, we propose a hierarchical mapping (HM) approach through performing block Lanczos transformations on the remaining indirect modes, which transforms the Hamiltonian matrix to a nearly block-tridiagonal form and eliminates the long-range interactions. Numerical tests on model spin-boson systems and realistic singlet fission models in a rubrene crystal environment with up to 7000 modes and strong system-environment interactions indicate HM can reduce the system size by 1-2 orders of magnitude and accelerate the calculation by ∼80% without losing accuracy.

Master equation emulation and coherence preservation with classical control of a superconducting qubit

Open quantum systems are a topic of intense theoretical research. The use of master equations to model a system's evolution subject to an interaction with an external environment is one of the most successful theoretical paradigms. General experimental tools to study different open system realizations have been limited, and so it is highly desirable to develop experimental tools which emulate diverse master equation dynamics and give a way to test open systems theories. In this paper we demonstrate a systematic method for engineering specific system-environment interactions and emulating master equations of a particular form using classical stochastic noise in a superconducting transmon qubit. We also demonstrate that non-Markovian noise can be used as a resource to extend the coherence of a quantum system and counteract the adversarial effects of Markovian environments.

Semiclassical Theory of Multistage Nonequilibrium Electron Transfer in Macromolecular Compounds in Polar Media with Several Relaxation Timescales

Many specific features of ultrafast electron transfer (ET) reactions in macromolecular compounds can be attributed to nonequilibrium configurations of intramolecular vibrational degrees of freedom and the environment. In photoinduced ET, nonequilibrium nuclear configurations are often produced at the stage of optical excitation, but they can also be the result of electron tunneling itself, i.e., fast redistribution of charges within the macromolecule. A consistent theoretical description of ultrafast ET requires an explicit consideration of the nuclear subsystem, including its evolution between electron jumps. In this paper, the effect of the multi-timescale nuclear reorganization on ET transitions in macromolecular compounds is studied, and a general theory of ultrafast ET in non-Debye polar environments with a multi-component relaxation function is developed. Particular attention is paid to designing the multidimensional space of nonequilibrium nuclear configurations, as well as constructing the diabatic free energy surfaces for the ET states. The reorganization energies of individual ET transitions, the equilibrium energies of ET states, and the relaxation properties of the environment are used as input data for the theory. The effect of the system-environment interaction on the ET kinetics is discussed, and mechanisms for enhancing the efficiency of charge separation in macromolecular compounds are analyzed.

Unified Multirate Control: From Low-Level Actuation to High-Level Planning

In this article, we present a hierarchical multirate control architecture for nonlinear autonomous systems operating in partially observable environments. Control objectives are expressed using syntactically co-safe linear temporal logic (LTL) specifications and the nonlinear system is subject to state and input constraints. At the highest level of abstraction, we model the system–environment interaction using a discrete mixed observable Markov decision process, where the environment states are partially observed. The high-level control policy is used to update the constraint sets and cost function of a model predictive controller (MPC) which plans a reference trajectory. Afterward, the MPC planned trajectory is fed to a low-level high-frequency tracking controller, which leverages control barrier functions to guarantee bounded tracking errors. Our strategy is based on model abstractions of increasing complexity and layers running at different frequencies. We show that the proposed hierarchical multirate control architecture maximizes the probability of satisfying the high-level specifications, while guaranteeing state and input constraint satisfaction. Finally, we tested the proposed strategy in simulations and experiments on examples inspired by the Mars exploration mission, where only partial environment observations are available.