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We consider the problem of learning the Hamiltonian of a quantum system from estimates of Gibbs-state expectation values. Various methods for achieving this task were proposed recently, both from a practical and theoretical point of view.…

Quantum Physics · Physics 2024-10-31 Adam Artymowicz , Hamza Fawzi , Omar Fawzi , Samuel O. Scalet

Energy spectroscopy is a powerful tool with diverse applications across various disciplines. The advent of programmable digital quantum simulators opens new possibilities for conducting spectroscopy on various models using a single device.…

We present quantum algorithms, for Hamiltonians of linear combinations of local unitary operators, for Hamiltonian matrix-vector products and for preconditioning with the inverse of shifted reduced Hamiltonian operator that contributes to…

Quantum Physics · Physics 2020-09-09 Zhiyong Zhang

Estimating the eigenstate properties of quantum systems is a long-standing, challenging problem for both classical and quantum computing. Existing universal quantum algorithms typically rely on ideal and efficient query models (e.g. time…

Quantum Physics · Physics 2026-01-21 Jinzhao Sun , Pei Zeng , Tom Gur , M. S. Kim

A method for computing lower bounds to eigenvalues of sums of lower semibounded self-adjoint operators is presented. We apply the method to one-electron Hamiltonians. To improve the lower bounds we consider symmetry of molecules and use…

Mathematical Physics · Physics 2019-12-19 Sohei Ashida

Quantum phase estimation plays a central role in quantum simulation as it enables the study of spectral properties of many-body quantum systems. Most variants of the phase estimation algorithm require the application of the global unitary…

Quantum phase estimation is one of the critical building blocks of quantum computing. For early fault-tolerant quantum devices, it is desirable for a quantum phase estimation algorithm to (1) use a minimal number of ancilla qubits, (2)…

Quantum Physics · Physics 2023-11-08 Hongkang Ni , Haoya Li , Lexing Ying

Quantum simulation uses a well-known quantum system to predict the behavior of another quantum system. Certain limitations in this technique arise, however, when applied to specific problems, as we demonstrate with a theoretical and…

Quantum Physics · Physics 2009-11-13 Kenneth R. Brown , Robert J. Clark , Isaac L. Chuang

We consider different Linear Combination of Unitaries (LCU) decompositions for molecular electronic structure Hamiltonians. Using these LCU decompositions for Hamiltonian simulation on a quantum computer, the main figure of merit is the…

Quantum Physics · Physics 2023-06-13 Ignacio Loaiza , Alireza Marefat Khah , Nathan Wiebe , Artur F. Izmaylov

The most advanced techniques using fault-tolerant quantum computers to estimate the ground-state energy of a chemical Hamiltonian involve compression of the Coulomb operator through tensor factorizations, enabling efficient block-encodings…

We present a new proof of the quantum Cramer-Rao bound for precision parameter estimation [1-3] and extend it to a more general class of measurement procedures. We analyze a generalized framework for parameter estimation that covers most…

Quantum Physics · Physics 2010-01-28 Garry Goldstein , Mikhail D. Lukin , Paola Cappellaro

Preparing the ground state of a given Hamiltonian and estimating its ground energy are important but computationally hard tasks. However, given some additional information, these problems can be solved efficiently on a quantum computer. We…

Quantum Physics · Physics 2020-12-16 Lin Lin , Yu Tong

In fault-tolerant quantum computing, the cost of calculating Hamiltonian eigenvalues using the quantum phase estimation algorithm is proportional to the constant scaling the Hamiltonian matrix block-encoded in a unitary circuit. We present…

Quantum Physics · Physics 2024-12-03 Konrad Deka , Emil Zak

Quantum phase estimation is a cornerstone in quantum algorithm design, allowing for the inference of eigenvalues of exponentially-large sparse matrices.The maximum rate at which these eigenvalues may be learned, --known as the Heisenberg…

Quantum Physics · Physics 2022-10-12 Alicja Dutkiewicz , Barbara M. Terhal , Thomas E. O'Brien

Learning the Hamiltonian governing a quantum system is a central task in quantum metrology, sensing, and device characterization. Existing Heisenberg-limited Hamiltonian learning protocols either require multi-qubit operations that are…

Quantum Physics · Physics 2026-01-16 Shrigyan Brahmachari , Shuchen Zhu , Iman Marvian , Yu Tong

We develop and analyze a fault-tolerant quantum algorithm for computing $n$-th order response properties necessary for analysis of non-linear spectroscopies of molecular and condensed phase systems. We use a semi-classical description in…

Quantum Physics · Physics 2024-04-23 Tyler Kharazi , Torin F. Stetina , Liwen Ko , Guang Hao Low , K. Birgitta Whaley

Modeling low energy eigenstates of fermionic systems can provide insight into chemical reactions and material properties and is one of the most anticipated applications of quantum computing. We present three techniques for reducing the cost…

We upper- and lower-bound the optimal precision with which one can estimate an unknown Hamiltonian parameter via measurements of Gibbs thermal states with a known temperature. The bounds depend on the uncertainty in the Hamiltonian term…

The difficulty of simulating quantum dynamics depends on the norm of the Hamiltonian. When the Hamiltonian varies with time, the simulation complexity should only depend on this quantity instantaneously. We develop quantum simulation…

Quantum Physics · Physics 2020-04-21 Dominic W. Berry , Andrew M. Childs , Yuan Su , Xin Wang , Nathan Wiebe

A projective measurement of energy (PME) on a quantum system is a quantum measurement, determined by the Hamiltonian of the system. PME protocols exist when the Hamiltonian is given in advance. Unknown Hamiltonians can be identified by…

Quantum Physics · Physics 2015-05-20 Shojun Nakayama , Akihito Soeda , Mio Murao