Accurate modeling of quantum systems interacting with environments requires addressing non-unitary dynamics, which significantly complicates computational approaches. In this work, we enhance an open quantum system (OQS) theory using density-matrix purification, enabling a unitary description of dynamics by entangling the system with an environment of equal dimension. We first establish the connection between density-matrix purification and conventional OQS methods. We then demonstrate the standalone applicability of purification theory by deriving system-environment interactions from fundamental design principles. Using model systems, we show that the purification approach extends beyond the complete positivity condition and effectively models both Markovian and non-Markovian dynamics. Finally, we implement density-matrix purification on a quantum simulator, illustrating its capability to map non-unitary OQS dynamics onto a unitary framework suitable for quantum computers.
Accurate modeling of quantum systems interacting with environments requires addressing non-unitary dynamics, which significantly complicates computational approaches. In this work, we enhance an open quantum system (OQS) theory using density-matrix purification, enabling a unitary description of dynamics by entangling the system with an environment of equal dimension. We first establish the connection between density-matrix purification and conventional OQS methods. We then demonstrate the standalone applicability of purification theory by deriving system-environment interactions from fundamental design principles. Using model systems, we show that the purification approach extends beyond the complete positivity condition and effectively models both Markovian and non-Markovian dynamics. Finally, we implement density-matrix purification on a quantum simulator, illustrating its capability to map non-unitary OQS dynamics onto a unitary framework suitable for quantum computers.
Electronic structure and transport in realistically-sized systems often require an open quantum system (OQS) treatment, where the system is defined in the context of an environment. As OQS evolution is non-unitary, implementation on quantum computers -- limited to unitary operations -- is challenging. We present a general framework for OQSs where the system's d×d density matrix is recast as a d2 wavefunction which can be evolved by unitary transformations. This theory has two significant advantages over conventional approaches: (i) the wavefunction requires only an n-qubit, compared to 2n-qubit, bath for an n-qubit system and (ii) the purification includes dynamics of any pure-state universe. We demonstrate this method on a two-level system in a zero temperature amplitude damping channel and a two-site quantum Ising model. Quantum simulation and experimental-device results agree with classical calculations, showing promise in simulating non-unitary operations on NISQ quantum devices.
This thesis introduces an algorithm for efficiently simulating the non-unitary dynamics of open quantum systems on quantum computers. Open quantum systems interact with their surrounding environment, resulting in non-unitary dynamics. This creates a fundamental challenge for quantum simulation, since quantum hardware is inherently restricted to unitary operations. Building on the Kraus operator sum representation, this work explores dilation techniques that embed non-unitary maps into larger unitary operations, suitable for implementation on quantum processors. In addition to reproducing recent results from the literature, an enhanced algorithm that reuses the quantum state from the previous time step is presented. This reuse strategy increases efficiency, permits repeated application of the same quantum circuit, and shifts the dominant computational workload toward the quantum processor. The method is implemented and tested on models of the Fenna–Matthews–Olson light-harvesting complex and compares the obtained results against existing approaches. Importantly, the algorithm is broadly applicable to a wide class of open quantum systems. The proposed scheme provides a practical pathway for studying transport, dynamics, and spectral properties of interacting quantum systems on a quantum simulator, while keeping the demands on classical resources modest. The thesis concludes with a discussion of implementation details, numerical results, and prospects for scaling the method to larger systems.
The rapid development of quantum computers has enabled demonstrations of quantum advantages on various tasks. However, real quantum systems are always dissipative due to their inevitable interaction with the environment, and the resulting non-unitary dynamics make quantum simulation challenging with only unitary quantum gates. In this work, we present an innovative and scalable method to simulate open quantum systems using quantum computers. We define an adjoint density matrix as a counterpart of the true density matrix, which reduces to a mixed-unitary quantum channel and thus can be effectively sampled using quantum computers. This method has several benefits, including no need for auxiliary qubits and noteworthy scalability. Moreover, some long-time properties like steady states and the thermal equilibrium can also be investigated as the adjoint density matrix and the true dissipated one converge to the same state. Finally, we present deployments of this theory in the dissipative quantum XY model for the evolution of correlation and entropy with short-time dynamics and the disordered Heisenberg model for many-body localization with long-time dynamics. This work promotes the study of real-world many-body dynamics with quantum computers, highlighting the potential to demonstrate practical quantum advantages.
We identify the conditions that guarantee equivalence of the reduced dynamics of an open quantum system (OQS) for two different types of environments-one a continuous bosonic environment leading to a unitary system-environment evolution and the other a discrete-mode bosonic environment resulting in a system-mode (nonunitary) Lindbladian evolution. Assuming initial Gaussian states for the environments, we prove that the two OQS dynamics are equivalent if both the expectation values and two-time correlation functions of the environmental interaction operators are the same at all times for the two configurations. Since the numerical and analytical description of a discrete-mode environment undergoing a Lindbladian evolution is significantly more efficient than that of a continuous bosonic environment in a unitary evolution, our result represents a powerful, nonperturbative tool to describe complex and possibly highly non-Markovian dynamics. As a special application, we recover and generalize the well-known pseudomodes approach to open-system dynamics.
Abstract A variety of tasks in quantum control, ranging from purification and cooling to quantum stabilisation and open-system simulation, rely on the ability to implement a target quantum channel over a specified time interval within prescribed accuracy. This can be achieved by engineering a suitable unitary dynamics of the system of interest along with its environment, which, depending on the available level of control, is fully or partly exploited as a coherent quantum controller . After formalising a controllability framework for completely positive trace-preserving quantum dynamics, we provide sufficient conditions on the environment state and dimension that allow for the realisation of relevant classes of quantum channels, including extreme channels, stochastic unitaries or simply any channel. The results hinge on generalisations of Stinespring’s dilation via a subsystem principle . In the process, we show that a conjecture by Lloyd on the minimal dimension of the environment required for arbitrary open-system simulation, albeit formally disproved, can in fact be salvaged, provided that classical randomisation is included among the available resources. Existing measurement-based feedback protocols for universal simulation, dynamical decoupling and dissipative state preparation are recast within the proposed coherent framework as concrete applications, and the resources they employ discussed in the light of the general results.
The universal quantum computation model based on quantum walk by Childs has opened the door for a new way of studying the limitations and advantages of quantum computation, as well as for its intermediate-term simulation. In recent years, the growing interest in noisy intermediate-scale quantum computers (NISQ) has lead to intense efforts being directed at understanding the computational advantages of open quantum systems. In this work, we extend the quantum walk model to open noisy systems in order to provide such a tool for the study of NISQ computers. Our method does not use explicit purification, and allows to ignore the environment degrees of freedom and get direct and much more efficient access to the entanglement properties of the system. In our representation, the quantum walk amplitudes represent elements in a density matrix rather than the wavefunction of a pure state. Despite the non-trivial manifestation of the normalization requirement in this setting, we model the application of general unitary gates and nonunitary channels, with an explicit implementation protocol for channels that are commonly used in noise models.