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In this paper, we propose a quantum amplitude estimation method that uses a modified Grover operator and quadratically improves the estimation accuracy in the ideal case, as in the conventional one using the standard Grover operator. Under…

This paper introduces quantum computing methods for Monte Carlo simulations in power systems which are expected to be exponentially faster than their classical computing counterparts. Monte Carlo simulations is a fundamental method, widely…

Quantum Physics · Physics 2023-10-02 Emilie Jong , Brynjar Sævarsson , Hjörtur Jóhannsson , Spyros Chatzivasileiadis

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

The role of numerical accuracy in training and evaluating neural network-based potential energy surfaces is examined for different experimental observables. For observables that require third- and fourth-order derivatives of the total…

Chemical Physics · Physics 2023-11-30 Silvan Käser , Markus Meuwly

Quantum phase estimation is one of the key algorithms in the field of quantum computing, but up until now, only approximate expressions have been derived for the probability of error. We revisit these derivations, and find that by ensuring…

Quantum Physics · Physics 2012-02-13 James M. Chappell , Max A. Lohe , Lorenz von Smekal , Azhar Iqbal , Derek Abbott

Quantum algorithms for ground-state energy estimation of chemical systems require a high-quality initial state. However, initial state preparation is commonly either neglected entirely, or assumed to be solved by a simple product state like…

In quantum mechanics, measuring the expectation value of a general observable has an inherent statistical uncertainty that is quantified by variance or mean squared error of measurement outcome. While the uncertainty can be reduced by…

Quantum Physics · Physics 2025-05-08 Kaito Wada , Naoki Yamamoto , Nobuyuki Yoshioka

Many prominent quantum computing algorithms with applications in fields such as chemistry and materials science require a large number of measurements, which represents an important roadblock for future real-world use cases. We introduce a…

We present a quantum algorithm for European option pricing in finance, where the key idea is to work in the unary representation of the asset value. The algorithm needs novel circuitry and is divided in three parts: first, the amplitude…

Accurate simulations of molecules require high-level electronic-structure theory in combination with rigorous methods for approximating the quantum dynamics. Machine-learning approaches can significantly reduce the computational expense of…

Chemical Physics · Physics 2026-02-24 Valerii Andreichev , Jindra Dušek , Markus Meuwly , Jeremy O. Richardson

Quantum-enhanced (i.e., higher performance by quantum effects than any classical methods) mean value estimation of observables is a fundamental task in various quantum technologies; in particular, it is an essential subroutine in quantum…

Quantum Physics · Physics 2024-09-11 Kaito Wada , Kazuma Fukuchi , Naoki Yamamoto

Classical optimization is a cornerstone of the success of variational quantum algorithms, which often require determining the derivatives of the cost function relative to variational parameters. The computation of the cost function and its…

Quantum Physics · Physics 2025-07-15 Muhammad Umer , Eleftherios Mastorakis , Dimitris G. Angelakis

Numerically solving partial differential equations is a ubiquitous computational task with broad applications in many fields of science. Quantum computers can potentially provide high-degree polynomial speed-ups for solving PDEs, however…

Quantum Physics · Physics 2026-01-09 Gumaro Rendon , Stepan Smid

We describe an algorithm for using a quantum computer to calculate mean values of observables and the partition function of a quantum system. Our algorithm includes two sub-algorithms. The first sub-algorithm is for calculating, with…

Quantum Physics · Physics 2010-11-10 Robert R. Tucci

An important application for near-term quantum computing lies in optimization tasks, with applications ranging from quantum chemistry and drug discovery to machine learning. In many settings --- most prominently in so-called parametrized or…

Quantum Physics · Physics 2019-03-27 Maria Schuld , Ville Bergholm , Christian Gogolin , Josh Izaac , Nathan Killoran

Future advancement of engineering applications is dependent on design of novel materials with desired properties. Enormous size of known chemical space necessitates use of automated high throughput screening to search the desired material.…

Machine Learning · Statistics 2019-04-10 Saket Mishra , Piyush Tagade

Much of the mathematical development of quantum field theory has been in support of determining the S-matrix in order to calculate scattering cross sections. However there is also an interest in determining how expectation values of field…

General Physics · Physics 2014-07-24 Dan Solomon

The behavior of an atom in a molecule, liquid or solid is governed by the force it experiences. If the dependence of this vectorial force on the atomic chemical environment can be $learned$ efficiently with high-fidelity from benchmark…

Materials Science · Physics 2015-10-28 Venkatesh Botu , Rampi Ramprasad

As quantum computing technology advances, the need for optimized arithmetic circuits continues to grow. This paper presents the implementation and resource estimation of a library of quantum arithmetic algorithms, including addition,…

Quantum Physics · Physics 2025-12-03 Dmytro Fedoriaka , Brian Goldsmith , Yingrong Chen

In this work we design and compare different supervised learning algorithms to compute the cost of Alternating Current Optimal Power Flow (ACOPF). The motivation for quick calculation of OPF cost outcomes stems from the growing need of…

Machine Learning · Computer Science 2016-12-21 Raphael Canyasse , Gal Dalal , Shie Mannor
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