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Variational quantum algorithms exploit the features of superposition and entanglement to optimize a cost function efficiently by manipulating the quantum states. They are suitable for noisy intermediate-scale quantum (NISQ) computers that…

Quantum Physics · Physics 2023-08-29 Yunya Liu , Jiakun Liu , Jordan R. Raney , Pai Wang

Quantum computing offers promising new avenues for tackling the long-standing challenge of simulating the quantum dynamics of complex chemical systems, particularly open quantum systems coupled to external baths. However, simulating such…

Quantum Physics · Physics 2025-02-20 Xiaohan Dan , Eitan Geva , Victor S. Batista

So far proposed quantum computers use fragile and environmentally sensitive natural quantum systems. Here we explore the new notion that synthetic quantum systems suitable for quantum computation may be fabricated from smart nanostructures…

General Physics · Physics 2009-11-07 Reginald T. Cahill

In the effort to develop useful quantum computers simulating quantum machines with conventional computing resources is a key capability. Such simulations will always face limits preventing the emulation of quantum computers of substantial…

Quantum Physics · Physics 2023-02-20 Xiaosi Xu , Simon Benjamin , Jinzhao Sun , Xiao Yuan , Pan Zhang

During the past decades, quantum mechanical methods have undergone an amazing transition from pioneering investigations of experts into a wide range of practical applications, made by a vast community of researchers. First principles…

Chemical Physics · Physics 2016-11-09 Laura E. Ratcliff , Stephan Mohr , Georg Huhs , Thierry Deutsch , Michel Masella , Luigi Genovese

Solving the electronic Schr\"odinger equation for changing nuclear coordinates provides access to the Born-Oppenheimer potential energy surface. This surface is the key starting point for almost all theoretical studies of chemical processes…

Chemical Physics · Physics 2022-01-14 Markus Reiher

We define some of the programming and system-level challenges facing the application of quantum processing to high-performance computing. Alongside barriers to physical integration, prominent differences in the execution of quantum and…

Quantum Physics · Physics 2017-12-06 Keith A. Britt , Fahd A. Mohiyaddin , Travis S. Humble

Quantum simulation algorithms often require numerous ancilla qubits and deep circuits, prohibitive for near-term hardware. We introduce a framework for simulating quantum channels using ensembles of low-depth circuits in place of many-qubit…

Quantum Physics · Physics 2024-08-01 Joseph Peetz , Scott E. Smart , Prineha Narang

Recent improvements in control of quantum systems make it seem feasible to finally build a quantum computer within a decade. While it has been shown that such a quantum computer can in principle solve certain small electronic structure…

Quantum Physics · Physics 2016-09-27 Bela Bauer , Dave Wecker , Andrew J. Millis , Matthew B. Hastings , M. Troyer

Since simulating quantum computers requires exponentially more classical resources, efficient algorithms are extremely helpful. We analyze algorithms that create single qubit and specific controlled qubit matrix representations of gates.…

Quantum Physics · Physics 2007-05-23 Eric Hsu

The semiclassically scaled time-dependent multi-particle Schr\"odinger equation describes, inter alia, quantum dynamics of nuclei in a molecule. It poses the combined computational challenges of high oscillations and high dimensions. This…

Numerical Analysis · Mathematics 2020-12-02 Caroline Lasser , Christian Lubich

Quantum chemistry calculations for small molecules on quantum hardware have been demonstrated to date only on universal-gate quantum computers, not quantum annealers. The latter devices are limited to finding the lowest eigenstate of the…

Chemical Physics · Physics 2019-01-16 Scott N. Genin , Ilya G. Ryabinkin , Artur F. Izmaylov

The driving force in the pursuit for quantum computation is the exciting possibility that quantum algorithms can be more efficient than their classical analogues. Research on the subject has unraveled several aspects of how that can happen.…

Quantum Physics · Physics 2011-02-11 Apoorva Patel

Determining the vibrational structure of a molecule is central to fundamental applications in several areas, from atmospheric science to catalysis, fuel combustion modeling, biochemical imaging, and astrochemistry. However, when significant…

Quantum Physics · Physics 2021-12-22 Nicolas P. D. Sawaya , Francesco Paesani , Daniel P. Tabor

Recent advancements in quantum computing are leading to an era of practical utility, enabling the tackling of increasingly complex problems. The goal of this era is to leverage quantum computing to solve real-world problems in fields such…

Quantum Physics · Physics 2025-05-07 Eneko Osaba , Esther Villar-Rodriguez , Izaskun Oregi

One of the most promising suggested applications of quantum computing is solving classically intractable chemistry problems. This may help to answer unresolved questions about phenomena like: high temperature superconductivity, solid-state…

Quantum Physics · Physics 2020-04-08 Sam McArdle , Suguru Endo , Alan Aspuru-Guzik , Simon Benjamin , Xiao Yuan

We address the question of how a quantum computer can be used to simulate experiments on quantum systems in thermal equilibrium. We present two approaches for the preparation of the equilibrium state on a quantum computer. For both…

Quantum Physics · Physics 2009-10-31 Barbara M. Terhal , David P. DiVincenzo

Quantum simulation of quantum chemistry is one of the most compelling applications of quantum computing. It is of particular importance in areas ranging from materials science, biochemistry and condensed matter physics. Here, we propose a…

Quantum Physics · Physics 2020-02-25 Shijie Wei , Hang Li , GuiLu Long

We use digital quantum computing to simulate the creation of particles in a dynamic spacetime. We consider a system consisting of a minimally coupled massive quantum scalar field in a spacetime undergoing homogeneous and isotropic…

Quantum Physics · Physics 2025-02-12 Marco Díaz Maceda , Carlos Sabín

Accurate quantum chemistry simulations remain challenging on classical computers for problems of industrially relevant sizes and there is reason for hope that quantum computing may help push the boundaries of what is technically feasible.…

Quantum Physics · Physics 2021-03-17 Vincent E. Elfving , Marta Millaruelo , José A. Gámez , Christian Gogolin