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Significant progress in the development of efficient and fast algorithms for quantum chemical calculations has been made in the past two decades. The main focus has always been the desire to be able to treat ever larger molecules or…

Chemical Physics · Physics 2012-12-18 Moritz P. Haag , Markus Reiher

Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…

Quantum Physics · Physics 2011-03-08 James D. Whitfield , Jacob Biamonte , Alán Aspuru-Guzik

Quantum computation is a promising emerging technology which, compared to conventional computation, allows for substantial speed-ups e.g. for integer factorization or database search. However, since physical realizations of quantum…

Quantum Physics · Physics 2018-06-07 Alwin Zulehner , Robert Wille

Density matrices evolved according the von Neumann equation are commonly used to simulate the dynamics of driven quantum systems. However, computational methods using density matrices are often too slow to explore the large parameter spaces…

Computational Physics · Physics 2022-02-02 Spenser Talkington , HongWen Jiang

Quantum simulation is a foundational application for quantum computers, projected to offer insights into complex quantum systems beyond the reach of classical computation. However, with the exception of Trotter-based methods, which suffer…

Quantum Physics · Physics 2026-02-10 Amir Kalev , Itay Hen

Discrete combinatorial optimization consists in finding the optimal configuration that minimizes a given discrete objective function. An interpretation of such a function as the energy of a classical system allows us to reduce the…

Quantum Physics · Physics 2015-06-22 Sergio Boixo , Gerardo Ortiz , Rolando Somma

Quantum computing has the potential to deliver large advantages on computational tasks, but advantages for practical tasks are not yet achievable with current hardware. Quantum sensing is an entirely separate quantum technology that can…

Quantum Physics · Physics 2025-07-24 Saeed A. Khan , Sridhar Prabhu , Logan G. Wright , Peter L. McMahon

Digital quantum computers provide a computational framework for solving the Schr\"{o}dinger equation for a variety of many-particle systems. Quantum computing algorithms for the quantum simulation of these systems have recently witnessed…

Quantum Physics · Physics 2022-03-21 Mario Motta , Julia Rice

Quantum coherence inherently affects the dynamics and the performances of a quantum machine. Coherent control can, at least in principle, enhance the work extraction and boost the velocity of evolution in an open quantum system. Using…

Quantum Physics · Physics 2018-12-10 Vasco Cavina , Andrea Mari , Alberto Carlini , Vittorio Giovannetti

Computational methods are the most effective tools we have besides scientific experiments to explore the properties of complex biological systems. Progress is slowing because digital silicon computers have reached their limits in terms of…

Quantum Physics · Physics 2020-04-03 Viv Kendon

Quantum computation appears to offer significant advantages over classical computation and this has generated a tremendous interest in the field. In this thesis we consider the application of quantum computers to scientific computing and…

Quantum Physics · Physics 2018-05-10 Stuart Hadfield

The discretization approximation method commonly used to simulate the dynamics of quantum system coupled to the environment in continuum often suffers from the periodically partial recovery of initial state because of the effect of finite…

Quantum Physics · Physics 2025-05-07 H. T. Cui , Y. A. Yan , M. Qin , X. X. Yi

Conventional methods of quantum simulation involve trade-offs that limit their applicability to specific contexts where their use is optimal. In particular, the interaction picture simulation has been found to provide substantial asymptotic…

Quantum Physics · Physics 2022-08-17 Abhishek Rajput , Alessandro Roggero , Nathan Wiebe

Simulating quantum dynamics is one of the most important applications of quantum computers. Traditional approaches for quantum simulation involve preparing the full evolved state of the system and then measuring some physical quantity.…

Quantum Physics · Physics 2025-02-24 Rolando D. Somma , Robbie King , Robin Kothari , Thomas O'Brien , Ryan Babbush

Numerical simulation of quantum systems is crucial to further our understanding of natural phenomena. Many systems of key interest and importance, in areas such as superconducting materials and quantum chemistry, are thought to be described…

Quantum Physics · Physics 2010-11-17 Katherine L Brown , William J Munro , Vivien M Kendon

Simulating chemical systems is highly sought after and computationally challenging, as the number of degrees of freedom increases exponentially with the size of the system. Quantum computers have been proposed as a computational means to…

Quantum simulation is a promising pathway toward practical quantum advantage by simulating large-scale quantum systems. In this work, we propose communication-efficient distributed quantum simulation protocols by exploring three quantum…

Quantum Physics · Physics 2024-11-06 Tianfeng Feng , Jue Xu , Wenjun Yu , Zekun Ye , Penghui Yao , Qi Zhao

Interactions of molecules with their environment influence the course and outcome of almost all chemical reactions. However, classical computers struggle to accurately simulate complicated molecule-environment interactions because of the…

By exploiting the complexity intrinsic to quantum dynamics, quantum technologies promise a whole host of computational advantages. One such advantage lies in the field of stochastic modelling, where it has been shown that quantum stochastic…

Quantum Physics · Physics 2024-02-28 Thomas J. Elliott , Mile Gu

Quantum simulation is a potentially powerful application of quantum computing, holding the promise to be able to emulate interesting quantum systems beyond the reach of classical computing methods. Despite such promising applications, and…

Quantum Physics · Physics 2022-10-07 Kaelyn J. Ferris , A. J. Rasmusson , Nicholas T. Bronn , Olivia Lanes