skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.


This content will become publicly available on February 20, 2026

Title: Preparing Hamiltonians for quantum simulation: A computational framework for Cartan decomposition via Lax dynamics
Quantum algorithms usually are described via quantum circuits representable as unitary operators. Synthesizing the unitary operators described mathematically in terms of the unitary operators recognizable as quantum circuits is essential. One such a challenge lies in the Hamiltonian simulation problem, where the matrix exponential of a large-scale skew-Hermitian matrix is to be computed. Most current techniques are prone to approximation errors, whereas the parametrization of the underlying Hamiltonian via the Cartan decomposition is more promising. To prepare for such a simulation, this work proposes to tackle the Cartan decomposition by means of the Lax dynamics. The advantages include not only that it is numerically feasible with no matrices involved, but also that this approach offers a genuine unitary synthesis within the integration errors. This work contributes to the theoretic and algorithmic foundations in three aspects: exploiting the quaternary representation of Hamiltonian subalgebras; describing a common mechanism for deriving the Lax dynamics; and providing a mathematical theory of convergence.  more » « less
Award ID(s):
2309376
PAR ID:
10614029
Author(s) / Creator(s):
Publisher / Repository:
American Mathematical Society
Date Published:
Journal Name:
Mathematics of Computation
ISSN:
0025-5718
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. Simulating the time evolution of a Hamiltonian system on a classical computer is hard—The computational power required to even describe a quantum system scales exponentially with the number of its constituents, let alone integrate its equations of motion. Hamiltonian simulation on a quantum machine is a possible solution to this challenge—Assuming that a quantum system composing of spin-½ particles can be manipulated at will, then it is tenable to engineer the interaction between those particles according to the one that is to be simulated, and thus predict the value of physical quantities by simply performing the appropriate measurements on the system. Establishing a linkage between the unitary operators described mathematically as a logic solution and the unitary operators recognizable as quantum circuits for execution, is therefore essential for algorithm design and circuit implementation. Most current techniques are fallible because of truncation errors or the stagnation at local solutions. This work offers an innovative avenue by tackling the Cartan decomposition with the notion of Lax dynamics. Within the integration errors that is controllable, this approach gives rise to a genuine unitary synthesis that not only is numerically feasible, but also can be utilized to gauge the quality of results produced by other means, and extend the knowledge to a wide range of applications. This paper aims at establishing the theoretic and algorithmic foundations by exploiting the geometric properties of Hamiltonian subalgebras and describing a common mechanism for deriving the Lax dynamics. 
    more » « less
  2. null (Ed.)
    The accuracy of quantum dynamics simulation is usually measured by the error of the unitary evolution operator in the operator norm, which in turn depends on certain norm of the Hamiltonian. For unbounded operators, after suitable discretization, the norm of the Hamiltonian can be very large, which significantly increases the simulation cost. However, the operator norm measures the worst-case error of the quantum simulation, while practical simulation concerns the error with respect to a given initial vector at hand. We demonstrate that under suitable assumptions of the Hamiltonian and the initial vector, if the error is measured in terms of the vector norm, the computational cost may not increase at all as the norm of the Hamiltonian increases using Trotter type methods. In this sense, our result outperforms all previous error bounds in the quantum simulation literature. Our result extends that of [Jahnke, Lubich, BIT Numer. Math. 2000] to the time-dependent setting. We also clarify the existence and the importance of commutator scalings of Trotter and generalized Trotter methods for time-dependent Hamiltonian simulations. 
    more » « less
  3. We explore a nonvariational quantum state preparation approach combined with the ADAPT operator selection strategy in the application of preparing the ground state of a desired target Hamiltonian. In this algorithm, energy gradient measurements determine both the operators and the gate parameters in the quantum circuit construction. We compare this nonvariational algorithm with ADAPT-VQE and with feedback-based quantum algorithms in terms of the rate of energy reduction, the circuit depth, and the measurement cost in molecular simulation. We find that, despite using deeper circuits, this new algorithm reaches chemical accuracy at a similar measurement cost to ADAPT-VQE. Since it does not rely on a classical optimization subroutine, it may provide robustness against circuit parameter errors due to imperfect control or gate synthesis. 
    more » « less
  4. Abstract Designing quantum algorithms for simulating quantum systems has seen enormous progress, yet few studies have been done to develop quantum algorithms for open quantum dynamics despite its importance in modeling the system-environment interaction found in most realistic physical models. In this work we propose and demonstrate a general quantum algorithm to evolve open quantum dynamics on quantum computing devices. The Kraus operators governing the time evolution can be converted into unitary matrices with minimal dilation guaranteed by the Sz.-Nagy theorem. This allows the evolution of the initial state through unitary quantum gates, while using significantly less resource than required by the conventional Stinespring dilation. We demonstrate the algorithm on an amplitude damping channel using the IBM Qiskit quantum simulator and the IBM Q 5 Tenerife quantum device. The proposed algorithm does not require particular models of dynamics or decomposition of the quantum channel, and thus can be easily generalized to other open quantum dynamical models. 
    more » « less
  5. Hamiltonian simulation is a central application of quantum computing, with significant potential in modeling physical systems and solving complex optimization problems. Existing compilers for such simulations typically focus on low-level representations based on Pauli operators, limiting programmability and offering no formal guarantees of correctness across the compilation pipeline. We introduce QBlue, a high-level, formally verified framework for compiling Hamiltonian simulations. QBlue is based on the formalism of second quantization, which provides a natural and expressive way to describe quantum particle systems using creation and annihilation operators. To ensure safety and correctness, QBlue includes a type system that tracks particle types and enforces Hermitian structure. The framework supports compilation to both digital and analog quantum circuits and captures multiple layers of semantics, from static constraints to dynamic evolution. All components of QBlue, including its language design, type system, and compilation correctness, are fully mechanized in the Rocq proof framework, making it the first end-to-end verified compiler for second-quantized Hamiltonian simulation. 
    more » « less