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We introduce a constructive method for mapping non-unitary dynamics to a weighted set of unitary operations. We utilize this construction to derive a new correspondence between real and imaginary time, which we term Imaginary Time Quantum…

Quantum Physics · Physics 2024-09-11 Jacob M. Leamer , Alicia B. Magann , Denys I. Bondar , Gerard McCaul

Extracting energy spectra from quantum Hamiltonians is a fundamental task for quantum simulation, yet remains challenging on noisy intermediate-scale quantum (NISQ) devices. We propose Measured Quantum Time Evolution (MQTE), an ancilla-free…

Quantum Physics · Physics 2026-03-19 Qing-Xing Xie , Yong-Kang Duan , Fa-Hui Liu , Yan Zhao

Quantum simulation of molecular electronic structure is one of the most promising applications of quantum computing. However, achieving chemically accurate predictions for strongly correlated systems requires quantum phase estimation (QPE)…

Quantum Physics · Physics 2026-03-31 Shota Kanasugi , Riki Toshio , Kazunori Maruyama , Hirotaka Oshima

Harnessing the full power of nascent quantum processors requires the efficient management of a limited number of quantum bits with finite lifetime. Hybrid algorithms leveraging classical resources have demonstrated promising initial results…

We present calculations of the ground and excited state energies of spin defects in solids carried out on a quantum computer, using a hybrid classical/quantum protocol. We focus on the negatively charged nitrogen vacancy center in diamond…

Quantum Physics · Physics 2025-07-01 Benchen Huang , Marco Govoni , Giulia Galli

The preparation of Hamiltonian eigenstates is essential for many applications in quantum computing; the efficiency with which this can be done is of key interest. A canonical approach exploits the quantum phase estimation (QPE) algorithm.…

Quantum Physics · Physics 2022-12-05 Richard Meister , Simon C. Benjamin

The problem of finding the ground state energy of a Hamiltonian using a quantum computer is currently solved using either the quantum phase estimation (QPE) or variational quantum eigensolver (VQE) algorithms. For precision $\epsilon$, QPE…

Quantum Physics · Physics 2019-04-16 Daochen Wang , Oscar Higgott , Stephen Brierley

Obtaining the free energies of condensed phase chemical reactions remains computationally prohibitive for high-level quantum mechanical methods. We introduce a hierarchical machine learning framework that bridges this gap by distilling…

Chemical Physics · Physics 2026-03-19 Chenghan Li , Garnet Kin-Lic Chan

We consider Hamiltonian simulation using the first order Lie-Trotter product formula under the assumption that the initial state has a high overlap with an energy eigenstate, or a collection of eigenstates in a narrow energy band. This…

Quantum Physics · Physics 2021-02-26 Changhao Yi , Elizabeth Crosson

The spectral gap occupies a role of central importance in many open problems in physics. We present an approach for evaluating the spectral gap of a Hamiltonian from a simple ratio of two expectation values, both of which are evaluated…

Quantum Physics · Physics 2026-01-26 Jacob M. Leamer , Alicia B. Magann , Gerard McCaul , Denys I. Bondar

Various methods have been developed for the quantum computation of the ground and excited states of physical and chemical systems, but many of them require either large numbers of ancilla qubits or high-dimensional optimization. The quantum…

Quantum Physics · Physics 2019-12-16 Kübra Yeter-Aydeniz , Raphael C. Pooser , George Siopsis

Quantum Imaginary-Time Evolution (QITE) is a powerful method for preparing ground states on quantum hardware. However, executing QITE has costly measurement budgets for general Hamiltonians. Both fidelity and computational cost are strongly…

Quantum Physics · Physics 2025-12-12 Julio Del Castillo , Mats Granath , Evert van Nieuwenburg

Many computationally hard problems can be encoded in quantum Hamiltonians. The solution to these problems is given by the ground states of these Hamiltonians. A state-of-the-art algorithm for finding the ground state of a Hamiltonian is the…

Quantum kernel methods (QKMs) offer an appealing framework for machine learning on near-term quantum computers. However, QKMs generically suffer from exponential concentration, requiring an exponential number of measurements to resolve the…

Strongly Correlated Electrons · Physics 2025-08-15 Ayana Sarkar , Martin Schnee , Roya Radgohar , Mojde Fadaie , Victor Drouin-Touchette , Stefanos Kourtis

Quantum phase estimation (QPE) is a cornerstone algorithm for extracting Hamiltonian eigenvalues, but its standard, eigenstate-centric form relies on carefully prepared coherent inputs that are costly or impractical for many strongly…

Quantum Physics · Physics 2025-12-10 Stefano Scali , Josh Kirsopp , Antonio Márquez Romero , Michał Krompiec

Quantum Amplitude Estimation (QAE) can achieve a quadratic speed-up for applications classically solved by Monte Carlo simulation. A key requirement to realize this advantage is efficient state preparation. If state preparation is too…

Quantum Physics · Physics 2021-03-17 Almudena Carrera Vazquez , Stefan Woerner

The efficient calculation of Hamiltonian spectra, a problem often intractable on classical machines, can find application in many fields, from physics to chemistry. Here, we introduce the concept of an "eigenstate witness" and through it…

Quantum phase estimation (QPE) is a promising quantum algorithm for obtaining molecular ground-state energies with chemical accuracy. However, its computational cost, dominated by the Hamiltonian 1-norm $\lambda$ and the cost of the block…

Estimating transition rates in open quantum systems is hampered by computing-resource demands that grow rapidly with system size. We present a quantum-simulation framework that enables efficient estimation by recasting the transition rate,…

Quantum Physics · Physics 2025-12-16 Robson Christie , Kyunghyun Baek , Jeongho Bang , Jaewoo Joo

We present a novel method for improving the quantum simulation of the ground state energy of molecules. We perform a pre-processing step classically, which reduces the dimensionality of the problem by generating a custom mapping which…

Quantum Physics · Physics 2023-03-03 Kaur Kristjuhan , Mark Nicholas Jones
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