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The cost of encoding a system Hamiltonian in a digital quantum computer as a linear combination of unitaries (LCU) grows with the 1-norm of the LCU expansion. The Block Invariant Symmetry Shift (BLISS) technique reduces this 1-norm by…

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

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

Current implementations of the Variational Quantum Eigensolver (VQE) technique for solving the electronic structure problem involve splitting the system qubit Hamiltonian into parts whose elements commute within their single qubit…

Quantum Physics · Physics 2019-10-08 Artur F. Izmaylov , Tzu-Ching Yen , Ilya G. Ryabinkin

Starting from the Quantum-Phase-Estimate (QPE) algorithm, a method is proposed to construct entangled states that describe correlated many-body systems on quantum computers. Using operators for which the discrete set of eigenvalues is…

Nuclear Theory · Physics 2020-12-30 D. Lacroix

We present a novel, computationally efficient approach to accelerate quantum optimal control calculations of large multi-qubit systems used in a variety of quantum computing applications. By leveraging the intrinsic symmetry of finite…

Quantum Physics · Physics 2023-10-05 Xian Wang , Mahmut Sait Okyay , Anshuman Kumar , Bryan M. Wong

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

Hamiltonian simulation is a domain where quantum computers have the potential to outperform their classical counterparts. One of the main challenges of such quantum algorithms is increasing the system size, which is necessary to achieve…

Quantum Physics · Physics 2025-02-07 Erenay Karacan , Yanbin Chen , Christian B. Mendl

Under suitable assumptions, the algorithms in [Lin, Tong, Quantum 2020] can estimate the ground state energy and prepare the ground state of a quantum Hamiltonian with near-optimal query complexities. However, this is based on a block…

Quantum Physics · Physics 2022-10-19 Yulong Dong , Lin Lin , Yu Tong

Block Encoding (BE) is a crucial subroutine in many modern quantum algorithms, including those with near-optimal scaling for simulating quantum many-body systems, which often rely on Quantum Signal Processing (QSP). Currently, the primary…

We propose an efficient block-encoding technique for the implementation of the Linear Combination of Hamiltonian Simulations (LCHS) for simulating dissipative initial-value problems. This algorithm approximates a target nonunitary operator…

Quantum Physics · Physics 2026-04-17 Ivan Novikau , Ilon Joseph

The computational cost of quantum algorithms for physics and chemistry is closely linked to the spectrum of the Hamiltonian, a property that manifests in the necessary rescaling of its eigenvalues. The typical approach of using the 1-norm…

In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…

Electronic band structure is a cornerstone of condensed matter physics and materials science. Conventional methods like Wannier interpolation (WI), which are commonly used to interpolate band structures onto dense k-point grids, often…

Materials Science · Physics 2025-06-04 Kai Wu , Yingzhou Li , Wentiao Wu , Lin Lin , Wei Hu , Jinlong Yang

Quantum chemistry calculations on a quantum computer frequently suffer from symmetry breaking: the situation when a state of assumed spin and number of electrons is contaminated with contributions of undesired symmetry. The situation may…

Quantum Physics · Physics 2018-12-27 Ilya G. Ryabinkin , Scott N. Genin

This paper considers a reconfigurable intelligent surface (RIS)-aided millimeter wave (mmWave) downlink communication system where hybrid analog-digital beamforming is employed at the base station (BS). We formulate a power minimization…

Information Theory · Computer Science 2021-01-26 Bei Guo , Renwang Li , Meixia Tao

One limitation of the variational quantum eigensolver algorithm is the large number of measurement steps required to estimate different terms in the Hamiltonian of interest. Unitary partitioning reduces this overhead by transforming the…

Quantum Physics · Physics 2021-09-01 Alexis Ralli , Peter Love , Andrew Tranter , Peter Coveney

The Variational Quantum Eigensolver approach to the electronic structure problem on a quantum computer involves measurement of the Hamiltonian expectation value. Formally, quantum mechanics allows one to measure all mutually commuting or…

Quantum Physics · Physics 2020-03-17 Tzu-Ching Yen , Vladyslav Verteletskyi , Artur F. Izmaylov

Relativistic spin effects drive subtle molecular phenomena ranging from intersystem crossing in photodynamic therapy to spin-mediated catalysis and high-resolution spectroscopy. These effects are described by the Pauli-Breit Hamiltonian,…

Quantum Physics · Physics 2026-01-28 Emil Zak

Quantum signal processing provides an optimal procedure for simulating Hamiltonian evolution on a quantum computer using calls to a block encoding of the Hamiltonian. In many situations it is possible to control between forward and reverse…

Quantum Physics · Physics 2024-07-17 Dominic W. Berry , Danial Motlagh , Giacomo Pantaleoni , Nathan Wiebe
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