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arXiv:1707.01079 · Scientific Reports

PsiQuaSP–A library for efficient computation of symmetric open quantum systems

Michael Gegg, Marten Richter

Published Nov 20, 2017• 25 citations
arXivHTMLPDF

Abstract

In a recent publication we showed that permutation symmetry reduces the numerical complexity of Lindblad quantum master equations for identical multi-level systems from exponential to polynomial scaling. This is important for open system dynamics including realistic system bath interactions and dephasing in, for instance, the Dicke model, multi-Λ system setups etc. Here we present an object-oriented C++ library that allows to setup and solve arbitrary quantum optical Lindblad master equations, especially those that are permutationally symmetric in the multi-level systems. PsiQuaSP (Permutation symmetry for identical Quantum Systems Package) uses the PETSc package for sparse linear algebra methods and differential equations as basis. The aim of PsiQuaSP is to provide flexible, storage efficient and scalable code while being as user friendly as possible. It is easily applied to many quantum optical or quantum information systems with more than one multi-level system. We first review the basics of the permutation symmetry for multi-level systems in quantum master equations. The application of PsiQuaSP to quantum dynamical problems is illustrated with several typical, simple examples of open quantum optical systems.

DOI
10.1038/s41598-017-16178-8

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In a recent publication we showed that permutation symmetry reduces the numerical complexity of Lindblad quantum master equations for identical multi-level systems from exponential to polynomial scaling. This is important for open system dynamics including realistic system bath interactions and dephasing in, for instance, the Dicke model, multi-Λ system setups etc. Here we present an object-oriented C++ library that allows to setup and solve arbitrary quantum optical Lindblad master equations, especially those that are permutationally symmetric in the multi-level systems. PsiQuaSP (Permutation symmetry for identical Quantum Systems Package) uses the PETSc package for sparse linear algebra methods and differential equations as basis. The aim of PsiQuaSP is to provide flexible, storage efficient and scalable code while being as user friendly as possible. It is easily applied to many quantum optical or quantum information systems with more than one multi-level system. We first review the basics of the permutation symmetry for multi-level systems in quantum master equations. The application of PsiQuaSP to quantum dynamical problems is illustrated with several typical, simple examples of open quantum optical systems.
In this thesis a formalism for indistinguishable multi-level quantum emitters in quantum master equations is developed. The complexity of the approach scales only polynomially in the number of quantum emitters. Complexity here means the number of coupled equations or rather the dimension of the Liouville space. This approach opens new possibilities for calculating open quantum systems. The method is implemented in the PsiQuaSP library, which allows to setup and solve arbitrary master equations, in particular master equations with the reduced polyno-mial scaling. The introduced tools are utilized to study subradiance in the open Dicke model and various cQED lasers. One of the main current research goals in quantum optics and quantum information science is the generation and stabilization of quantum coherence between distinct quantum systems. These systems can for instance be photons or quantum emitters, qubits. From a theoretical stance the difficulty with these systems is that their complexity scales in general exponentially with the system size, like the number of quantum emitters. The reduced scaling of the formalism introduced in this thesis stems from the permutation symmetry of the indistinguishable emitters. The method is derived in the context of Lindblad quantum master equations. Lindblad quantum master equations for many identical multi-level systems have been used to study funda- mental quantum optical systems, such as lasing and laser like action, various phase transitions, optical bistability, cooperative resonance fluorescence, entanglement, quantum light generation, quantum to classical transitions, super- and subradiance etc. In most of these cases the single emitter, the many emitter and the weak correlation limit can be satisfactorily treated with existing techniques, such as direct integration, phase space methods or cluster expansion. However these techniques are not well suited for the few emitter case with strong correlations. The theory developed in this thesis allows to study all these systems for moderate numbers of quantum emitters and arbitrary correlation strengths, thus filling the gap left open by conventional methods. Even though the theory is developed around Lindblad quantum master equations it is not limited to this case – the requirement of indistinguishability is used to construct symmetrized Liouville space basis states and operators which can also be used to construct other master equations. In this thesis the general methodology for the polynomial scaling of the many emitter master equation is derived by two different approaches. Generalized permutation symmetric Liouville space states and operators are introduced that allow for the construction of arbitrary master equations and observables. These Liouville space states and operators are translated into a graphical representation that greatly facilitates their usage. This representation is found to have a close connection to Lie algebras as well as graph theory. The whole method is implemented in a general and modular way in a C++ library called PsiQuaSP, which allows to simulate arbitrary master equations based on a number state representation. The design of the library heavily relies on the introduced graphical representation, which greatly facilitates the setup of a simulation. The treatment of non-identical systems with PsiQuaSP is illustrated and further techniques for complexity reduction and computational speedup are discussed. These tools are applied to the two main cases of cQED lasers/spasers and super-, subradiance. In the latter case a new type of phase transition in the open Dicke model is predicted that leads to a deterministic generation of subradiant steady state coherences, with applications in quantum information science. Furthermore the interaction of quantum dots with the dissipative modes at metal interfaces is investigated in order to explain experimental findings.
We consider the Lindblad equation for a collection of multilevel systems coupled to independent environments.The equation is symmetric under the exchange of the labels associated with each system and thus the open-system dynamics takes place in the permutation-symmetric subspace of the operator space.The dimension of this space grows polynomially with the number of systems.We construct a basis of this space and a set of superoperators whose action on this basis is easily specified.For a given number of levels, M, these superoperators are written in terms of a bosonic realization of the generators of the Lie algebra M . ( ) slIn some cases, these results enable finding an analytic solution of the master equation using known Lie-algebraic methods.To demonstrate this, we obtain an analytic expression for the state operator of a collection of three-level atoms coupled to independent radiation baths.When analytic solutions are difficult to find, the basis and the superoperators can be used to considerably reduce the computational resources required for simulations.
Exact diagonalization (ED) is a cornerstone technique in quantum many-body physics, enabling precise solutions to the many-body Schrödinger equation for interacting quantum systems. Despite its utility in studying ground states, excited states, and dynamical behaviors, the exponential growth of the Hilbert space with system size presents significant computational challenges. We introduce XDiag, an open-source software package designed to combine advanced and efficient algorithms for ED with and without symmetry-adapted bases with user-friendly interfaces. Implemented in C++ for computational efficiency and wrapped in Julia for ease of use, XDiag provides a comprehensive toolkit for ED calculations. Key features of XDiag include the first publicly accessible implementation of sublattice coding algorithms for large-scale spin system diagonalizations, efficient Lin table algorithms for symmetry lookups, and random-hashing techniques for distributed memory parallelization. The library supports various Hilbert space types (e.g., spin-1/2, electron, and t-J models), facilitates symmetry-adapted block calculations, and automates symmetry considerations. The package is complemented by extensive documentation, a user guide, reproducible benchmarks demonstrating near-linear scaling on thousands of CPU cores, and over 20 examples covering ground-state calculations, spectral functions, time evolution, and thermal states. By integrating high-performance computing with accessible scripting capabilities, XDiag allows researchers to perform state-of-the-art ED simulations and explore quantum many-body phenomena with unprecedented flexibility and efficiency.
With their constantly increasing peak performance and memory capacity, modern supercomputers offer new perspectives on numerical studies of open many-body quantum systems. These systems are often modeled by using Markovian quantum master equations describing the evolution of the system density operators. In this paper, we address master equations of the Lindblad form, which are a popular theoretical tools in quantum optics, cavity quantum electrodynamics, and optomechanics. By using the generalized Gell-Mann matrices as a basis, any Lindblad equation can be transformed into a system of ordinary differential equations with real coefficients. Recently, we presented an implementation of the transformation with the computational complexity, scaling as O(N5logN) for dense Lindbaldians and O(N3logN) for sparse ones. However, infeasible memory costs remains a serious obstacle on the way to large models. Here, we present a parallel cluster-based implementation of the algorithm and demonstrate that it allows us to integrate a sparse Lindbladian model of the dimension N=2000 and a dense random Lindbladian model of the dimension N=200 by using 25 nodes with 64 GB RAM per node.
We develop a framework that provides a straightforward approach to fully exploit the permutational symmetry of identical multilevel systems. By taking into account the permutational symmetry, we outline a simple scheme that allows us to map the dynamics of NNN identical ddd-level systems to the dynamics of ddd bosonic modes with NNN particles, achieving an exponential reduction on the dimensionality of the problem in a simple and straightforward way. In particular, we consider the Lindblad dynamics of several identical multilevel systems interacting with a common subsystem under the action of collective dissipation terms.
We show how one may perform a stochastic unravelling which respects weak permutation symmetry for general models of NNN emitters coupled to a common system (e.g. a cavity mode). Our work extends prior work by Zhang et al. [2018 New J. Phys. 20 112001] which provided an efficient quantum jump approach for a restricted subset of such problems. For problems involving 222-level emitters, such an unravelling reduces the computational cost from O(N5)\mathcal{O}(N^5)O(N5) to O(N2)\mathcal{O}(N^2)O(N2), and with additional refinements, allows reduction to O(N)\mathcal{O}(N)O(N). This significantly increases the range of system sizes for which one can model exact quantum dynamics of such systems. We further show how the method can also be applied to ddd-level systems, with computational effort scaling as O(Nd(d−1)/2)\mathcal{O}(N^{d(d-1)/2})O(Nd(d−1)/2), and we show it allows large-NNN simulations for d=3d=3d=3.