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Computational cost of energy estimation for molecular electronic Hamiltonians via Quantum Phase Estimation (QPE) grows with the difference between the largest and smallest eigenvalues of the Hamiltonian. In this work we propose a…

Quantum Physics · Physics 2023-10-26 Ignacio Loaiza , Artur F. Izmaylov

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

We present an encoding technique that reduces the effects of noise on quantum spin systems whose operation is driven by Hamiltonian evolution. This technique is widely applicable, being most relevant to the scenarios where there are…

Quantum Physics · Physics 2022-03-28 Catherine Keele , Alastair Kay

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

Reducing the complexity of quantum algorithms to treat quantum chemistry problems is essential to demonstrate an eventual quantum advantage of Noisy-Intermediate Scale Quantum (NISQ) devices over their classical counterpart. Significant…

Quantum Physics · Physics 2022-12-07 Emiel Koridon , Saad Yalouz , Bruno Senjean , Francesco Buda , Thomas E. O'Brien , Lucas Visscher

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 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 propose a simple method for simulating a general class of non-unitary dynamics as a linear combination of Hamiltonian simulation (LCHS) problems. LCHS does not rely on converting the problem into a dilated linear system problem, or on…

Quantum Physics · Physics 2023-10-24 Dong An , Jin-Peng Liu , Lin Lin

We introduce random-LCHS, a circuit-efficient randomized-compilation framework for simulating linear non-unitary dynamics of the form $\partial_t u(t) = -A(t) u(t) + b(t)$ built on the linear combination of Hamiltonian simulation (LCHS). We…

Quantum Physics · Physics 2025-09-11 Songqinghao Yang , Jin-Peng Liu

Simulating real-time dynamics under a Hamiltonian is a central goal of quantum information science. While numerous Hamiltonian-simulation quantum algorithms have been proposed, the effects of physical noise have rarely been incorporated…

Quantum Physics · Physics 2026-03-13 Keisuke Murota , Synge Todo , Suguru Endo

Quantum computing opens up new possibilities for the simulation of many-body nuclear systems. As the number of particles in a many-body system increases, the size of the space if the associated Hamiltonian increases exponentially. This…

Quantum Physics · Physics 2022-09-19 Isaac Hobday , Paul Stevenson , James Benstead

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

This article proposes a formalism which unifies Hamiltonian simulation techniques from different fields. This formalism leads to a competitive method to construct the Hamiltonian simulation with a comprehensible, simple-to-implement circuit…

Quantum Physics · Physics 2025-01-22 Robin Ollive , Stephane Louise

Current and near-term quantum hardware is constrained by limited qubit counts, circuit depth, and the high cost of repeated measurements. We address these challenges for solid state Hamiltonians by introducing a logarithmic-qubit encoding…

Quantum Physics · Physics 2026-05-13 Martin Plesch , Martin Friák , Ijaz Ahamed Mohammad

We consider the constrained Linear Inverse Problem (LIP), where a certain atomic norm (like the $\ell_1 $ norm) is minimized subject to a quadratic constraint. Typically, such cost functions are non-differentiable, which makes them not…

Optimization and Control · Mathematics 2025-07-08 Mohammed Rayyan Sheriff , Floor Fenne Redel , Peyman Mohajerin Esfahani

The simulation of chemistry is among the most promising applications of quantum computing. However, most prior work exploring algorithms for block-encoding, time-evolving, and sampling in the eigenbasis of electronic structure Hamiltonians…

Simulating the time evolution of a physical system at quantum mechanical levels of detail -- known as Hamiltonian Simulation (HS) -- is an important and interesting problem across physics and chemistry. For this task, algorithms that run on…

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

We investigate the Ising and Heisenberg models using the Block Renormalization Group Method (BRGM), focusing on its behavior across different system sizes. The BRGM reduces the number of spins by a factor of 1/2 (1/3) for the Ising…

With a view toward addressing the explosive growth in the computational demands of nuclear structure and reactions modeling, we develop a novel quantum algorithm for neutron-nucleus simulations with general potentials, which provides…

Quantum Physics · Physics 2026-03-17 Soorya Rethinasamy , Ethan Guo , Alexander Wei , Mark M. Wilde , Kristina D. Launey
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