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We propose a method for constructing $\texttt{PREPARE}$ circuits for quantum phase estimation of a molecular Hamiltonian in quantum chemistry by using variational optimization of quantum circuits solely on classical computers. The…

Quantum Physics · Physics 2025-05-02 Hayata Morisaki , Kosuke Mitarai , Keisuke Fujii , Yuya O. Nakagawa

Quantum hardware continues to advance, yet finding new quantum algorithms - quantum software - remains a challenge, with classically trained computer programmers having little intuition of how computational tasks may be performed in the…

Quantum Physics · Physics 2018-12-12 Václav Potoček , Alan P. Reynolds , Alessandro Fedrizzi , David W. Corne

Demonstrating quantum advantage has been a pressing challenge in the field. Most claimed quantum speedups rely on a subroutine in which classical information can be accessed in a coherent quantum manner, which imposes a crucial constraint…

Quantum Physics · Physics 2025-11-04 Nhat A. Nghiem

We report on the Gaussian file search system designed as part of the ChemXSeer digital library. Gaussian files are produced by the Gaussian software [4], a software package used for calculating molecular electronic structure and properties.…

Quantum computer programming is emerging as a new subject domain from multidisciplinary research in quantum computing, computer science, mathematics (especially quantum logic, lambda calculi, and linear logic), and engineering attempts to…

Programming Languages · Computer Science 2008-12-18 Donald A. Sofge

Accurate simulations of vibrational molecular spectra are expensive on conventional computers. Compared to the electronic structure problem, the vibrational structure problem with quantum computers is less investigated. In this work we…

The next few years will be exciting as prototype universal quantum processors emerge, enabling implementation of a wider variety of algorithms. Of particular interest are quantum heuristics, which require experimentation on quantum hardware…

Quantum computing provides a new way for approaching problem solving, enabling efficient solutions for problems that are hard on classical computers. It is based on leveraging how quantum particles behave. With researchers around the world…

Quantum Physics · Physics 2021-09-29 Ahmed Shokry , Moustafa Youssef

Quantum computers can outperform classical computers in certain tasks. However, there are still many challenges to the current quantum computers such as decoherence and fault tolerance, and other drawbacks such as portability and…

Quantum Physics · Physics 2022-11-08 Sharan Mourya

Despite numerous advances in the field and a seemingly ever-increasing amount of investment, we are still some years away from seeing a production quantum computer in action. However, it is possible to make some educated guesses about the…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-06-22 James H. Davenport , Jessica R. Jones , Matthew Thomason

Variational quantum algorithms dominate contemporary gate-based quantum enhanced optimisation, eigenvalue estimation and machine learning. Here we establish the quantum computational universality of variational quantum computation by…

Quantum Physics · Physics 2021-05-25 Jacob Biamonte

Recent progress in quantum algorithms and hardware indicates the potential importance of quantum computing in the near future. However, finding suitable application areas remains an active area of research. Quantum machine learning is…

Machine Learning · Computer Science 2020-07-16 Nicholas Gao , Max Wilson , Thomas Vandal , Walter Vinci , Ramakrishna Nemani , Eleanor Rieffel

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 computers promise to transform our notions of computation by offering a completely new paradigm. To achieve scalable quantum computation, optimizing compilers and a corresponding software design flow will be essential. We present a…

Programming Languages · Computer Science 2018-07-24 Thomas Häner , Damian S. Steiger , Krysta Svore , Matthias Troyer

Quantum retrodiction involves finding the probabilities for various preparation events given a measurement event. This theory has been studied for some time but mainly as an interesting concept associated with time asymmetry in quantum…

Quantum Physics · Physics 2009-11-07 David T. Pegg , Stephen M. Barnett , John Jeffers

Quipper is a recently developed programming language for expressing quantum computations. This paper gives a brief tutorial introduction to the language, through a demonstration of how to make use of some of its key features. We illustrate…

Programming Languages · Computer Science 2013-07-08 Alexander S. Green , Peter LeFanu Lumsdaine , Neil J. Ross , Peter Selinger , Benoît Valiron

Understanding Quantum Technologies 2025 is the 8th update of a free open science ebook that provides a 360 degrees overview of quantum technologies from science and technology to geopolitical and societal issues. It covers quantum physics…

Quantum Physics · Physics 2025-10-31 Olivier Ezratty

This article surveys the state of the art in quantum computer algorithms, including both black-box and non-black-box results. It is infeasible to detail all the known quantum algorithms, so a representative sample is given. This includes a…

Quantum Physics · Physics 2008-08-05 Michele Mosca

Research in software engineering is essential for improving development practices, leading to reliable and secure software. Leveraging the principles of quantum physics, quantum computing has emerged as a new computational paradigm that…

Software Engineering · Computer Science 2025-02-14 Ashis Kumar Mandal , Md Nadim , Chanchal K. Roy , Banani Roy , Kevin A. Schneider

Quantum annealing is a heuristic quantum optimization algorithm that can be used to solve combinatorial optimization problems. In recent years, advances in quantum technologies have enabled the development of small- and intermediate-scale…

Quantum Physics · Physics 2022-10-05 Sheir Yarkoni , Elena Raponi , Thomas Bäck , Sebastian Schmitt