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We introduce a protocol for the fast simulation of $n$-dimensional quantum systems on $n$-qubit quantum computers with tunable couplings. A mapping is given between the control parameters of the quantum computer and the matrix elements of…

Quantum simulation is a prominent application of quantum computers. While there is extensive previous work on simulating finite-dimensional systems, less is known about quantum algorithms for real-space dynamics. We conduct a systematic…

Quantum Physics · Physics 2022-11-23 Andrew M. Childs , Jiaqi Leng , Tongyang Li , Jin-Peng Liu , Chenyi Zhang

One of the most promising applications of noisy intermediate-scale quantum computers is the simulation of molecular Hamiltonians using the variational quantum eigensolver. We show that encoding symmetries of the simulated Hamiltonian in the…

A key task in quantum computation is the application of a sequence of gates implementing a specific unitary operation. However, the decomposition of an arbitrary unitary operation into simpler quantum gates is a nontrivial problem. Here we…

Quantum Physics · Physics 2016-03-23 Swathi S. Hegde , K. R. Koteswara Rao , T. S. Mahesh

Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable at present on classical architectures. Here, we discuss…

Quantum Physics · Physics 2022-05-03 Christian Vorwerk , Nan Sheng , Marco Govoni , Benchen Huang , Giulia Galli

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

As we begin to reach the limits of classical computing, quantum computing has emerged as a technology that has captured the imagination of the scientific world. While for many years, the ability to execute quantum algorithms was only a…

Quantum Physics · Physics 2020-11-12 Bela Bauer , Sergey Bravyi , Mario Motta , Garnet Kin-Lic Chan

Quantum simulation is a promising near term application for mesoscale quantum information processors, with the potential to solve computationally intractable problems at the scale of just a few dozen interacting quantum systems. Recent…

Quantum Physics · Physics 2014-08-14 David L. Hayes , Steven T. Flammia , Michael J. Biercuk

As quantum computers become available to the general public, the need has arisen to train a cohort of quantum programmers, many of whom have been developing classical computer programs for most of their careers. While currently available…

Quantum computing has attracted significant interest in the optimization community because it potentially can solve classes of optimization problems faster than conventional supercomputers. Several researchers proposed quantum computing…

Quantum Physics · Physics 2023-02-14 Mohammadhossein Mohammadisiahroudi , Ramin Fakhimi , Tamás Terlaky

We present a quantum-classical algorithm to study the dynamics of the two-spatial-site Schwinger model on IBM's quantum computers. Using rotational symmetries, total charge, and parity, the number of qubits needed to perform computation is…

Our understanding of the physics of biological molecules, such as proteins and DNA, is limited because the approximations we usually apply to model inert materials are not in general applicable to soft, chemically inhomogeneous systems. The…

Quantum Physics · Physics 2010-07-13 Sarah Harris , Vivien M. Kendon

Protein folding processes are a vital aspect of molecular biology that is hard to simulate with conventional computers. Quantum algorithms have been proven superior for certain problems and may help tackle this complex life science…

Quantum Physics · Physics 2024-09-11 Hanna Linn , Isak Brundin , Laura García-Álvarez , Göran Johansson

Quantum computer provides new opportunities for quantum chemistry. In this article, we present a versatile, extensible, and efficient software package, named Q$^2$Chemistry, for developing quantum algorithms and quantum inspired classical…

Quantum Physics · Physics 2023-01-18 Yi Fan , Jie Liu , Xiongzhi Zeng , Zhiqian Xu , Honghui Shang , Zhenyu Li , Jinlong Yang

We introduce the concept of embedding quantum simulators, a paradigm allowing the efficient quantum computation of a class of bipartite and multipartite entanglement monotones. It consists in the suitable encoding of a simulated quantum…

Quantum Physics · Physics 2015-06-16 R. Di Candia , B. Mejia , H. Castillo , J. S. Pedernales , J. Casanova , E. Solano

This paper provides a short introduction to the mathematical foundation of quantum computation for researchers in computer science by providing an introduction fo the mathematical basis of calculations. This paper concerns the mathematical…

Emerging Technologies · Computer Science 2023-03-06 Gérard Fleury , Philippe Lacomme

In this study, we explore the use of molecules and molecular electronics for quantum computing. We construct one-qubit gates using one-electron scattering in molecules, and two-qubit controlled-phase gates using electron-electron scattering…

Quantum computers could potentially simulate the dynamics of systems such as polyatomic molecules on a much larger scale than classical computers. We investigate a general quantum computational algorithm that simulates the time evolution of…

Quantum Physics · Physics 2025-02-18 Yale Fan

Modeling electronic systems is an important application for quantum computers. In the context of materials science, an important open problem is the computational description of chemical reactions on surfaces. In this work, we outline a…

We explore how the fundamental problems in quantum molecular dynamics can be modelled using classical simulators (emulators) of quantum computers and the actual quantum hardware available to us today. The list of problems we tackle includes…

Quantum Physics · Physics 2025-07-29 Tamila Kuanysheva , Brian Kendrick , Lukasz Cincio , Dmitri Babikov
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