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arXiv:2408.13601 · SIAM Journal on Scientific Computing

Full- and Low-Rank Exponential Euler Integrators for the Lindblad Equation

Hao Chen, Alfio Borzı̀, Denis Janković, Jean-Gabriel Hartmann, Paul-Antoine Hervieux

Published Jan 2, 2026• 1 citation
arXivHTMLPDF

Abstract

Abstract. The Lindblad equation is a widely used quantum master equation to model the dynamical evolution of open quantum systems whose states are described by density matrices. These solution matrices are characterized by semipositiveness and trace preserving properties, which must be guaranteed in any physically meaningful numerical simulation. In this paper, novel full- and low-rank exponential Euler integrators are developed for approximating the Lindblad equation that preserve positivity and trace unconditionally. Theoretical results are presented that provide sharp error estimates for the two classes of exponential integration methods. Results of numerical experiments are discussed that illustrate the effectiveness of the proposed schemes, beyond present state-of-the-art capabilities.

DOI
10.1137/24m1690795

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Abstract. The Lindblad equation is a widely used quantum master equation to model the dynamical evolution of open quantum systems whose states are described by density matrices. These solution matrices are characterized by semipositiveness and trace preserving properties, which must be guaranteed in any physically meaningful numerical simulation. In this paper, novel full- and low-rank exponential Euler integrators are developed for approximating the Lindblad equation that preserve positivity and trace unconditionally. Theoretical results are presented that provide sharp error estimates for the two classes of exponential integration methods. Results of numerical experiments are discussed that illustrate the effectiveness of the proposed schemes, beyond present state-of-the-art capabilities.
The Lindblad equation is a widely used quantum master equation to model the dynamical evolution of open quantum systems whose states are described by density matrices. This equation is also a fundamental building block to design optimal control functions. In this paper we develop full- and low-rank exponential midpoint integrators for solving both the forward and adjoint Lindblad equations. These schemes are applicable to optimize-then-discretize approaches for optimal control of open quantum systems. We show that the proposed schemes preserve positivity and trace unconditionally. Furthermore, convergence of these numerical schemes is proved theoretically and verified numerically.
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Numerical simulation of quantum computing hardware and open quantum systems governed by the Lindblad equation is challenging due to the high dimensionality of the density matrix and the need to preserve fundamental physical properties. In our previous work, we developed an arbitrary-order, low-rank, completely positive and trace preserving (CPTP) method for the Lindblad equation with time-dependent Hamiltonians by nested Picard iteration (NPI). In this work, we develop Gregory NPI schemes, which are CPTP schemes constructed by Gregory-type quadrature on equispaced nodes. The methods, which are of order up to nine, substantially reduce the computational cost compared to our previously proposed NPI schemes with Gaussian quadrature rules, while retaining high-order accuracy and structure preservation. We analyze the stability of the resulting scheme for a physics-based test equation. Numerical experiments verify the convergence of the method and demonstrate the effectiveness of the low-rank approximation. We study the performance of a previously constructed CNOT gate for both closed and open quantum systems.
The Lindblad master equation is a valuable tool in quantum mechanics, which describes the dynamics of open systems. In the scope of our research, it is combined with the one-dimensional Maxwell's equations to form the generalized Maxwell-Bloch equations. Since analytical solutions are not available in the general case, numerical methods have to be employed to solve the Lindblad equation. In this work, we focus on methods that are completely positive trace preserving (CPTP), i.e., that guarantee to preserve the properties of the density matrix. We review existing approaches and compare the most promising candidates in terms of computational performance.
We propose a family of low-rank, completely positive and trace preserving schemes for the Lindblad equation, a common model for open quantum systems. Low-rank representation is employed at two levels: the density matrix is factorized into the product of tall-skinny matrices, and the columns of these matrices are further represented using the tensor train (TT) format, also know as matrix product states (MPS). This two-level low-rank format fits naturally into our existing Kraus is King scheme (arXiv:2409.08898v2 [math.NA]) for the Lindblad equation, whose underlying operations are arithmetic on the columns of the tall-skinny matrices. We show how these operations can be performed efficiently in the TT/MPS format, with particular emphasis on density matrix rank-truncation. We conclude with extensive numerical experiments demonstrating the convergence of this scheme and its efficiency in simulating systems with up to 101910^{19}1019 degrees of freedom using only modest compute resources.
The time evolution of Markovian open quantum systems is governed by Lindblad master equations, whose solution can be formally written as the Lindbladian exponential acting on the initial density matrix. By expanding this Lindbladian exponential into the Taylor series, we propose a generic method for integrating Lindblad master equations. In this method, the series is truncated, retaining a finite number of terms, and the iterative actions of Lindbladian on the density matrix follow the corresponding master equation. Our method offers significant improvements in numerical efficiencies both in memory cost and computation time, especially for systems with many degrees of freedom. Moreover, our proposed method can be integrated seamlessly with tensor networks. Two illustrative examples, a two-level system exhibiting damped Rabi oscillations and a driven dissipative Heisenberg chain, are used to demonstrate the validity of our method. The superiority of our method is benchmarked with detailed performance tests.