English
Related papers

Related papers: Quantum simulation of molecules in solution

200 papers

Over the past decades, atomistic simulations of chemical, biological and materials systems have become increasingly precise and predictive thanks to the development of accurate and efficient techniques that describe the quantum mechanical…

Chemical Physics · Physics 2018-03-13 Thomas E. Markland , Michele Ceriotti

We conducted quantum simulations of strongly correlated systems using the quantum flow (QFlow) approach, which enables sampling large sub-spaces of the Hilbert space through coupled eigenvalue problems in reduced dimensionality active…

Quantum Physics · Physics 2023-08-09 Karol Kowalski , Nicholas P. Bauman

The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As a consequence, these techniques can only be applied to small systems. By contrast, we demonstrate that quantum…

Quantum Physics · Physics 2008-12-17 Ivan Kassal , Stephen P. Jordan , Peter J. Love , Masoud Mohseni , Alán Aspuru-Guzik

Quantum computing is a game-changing technology for global academia, research centers and industries including computational science, mathematics, finance, pharmaceutical, materials science, chemistry and cryptography. Although it has seen…

Quantum Physics · Physics 2023-03-07 He-Liang Huang , Xiao-Yue Xu , Chu Guo , Guojing Tian , Shi-Jie Wei , Xiaoming Sun , Wan-Su Bao , Gui-Lu Long

Algorithms are described for efficiently simulating quantum mechanical systems on quantum computers. A class of algorithms for simulating the Schrodinger equation for interacting many-body systems are presented in some detail. These…

Quantum Physics · Physics 2009-10-30 Bruce M. Boghosian , Washington Taylor

Quantum instruments describe both the classical outcome and the updated state associated with a quantum measurement. We ask whether these processes can be simulated using only a natural subset of resources, namely projective measurements on…

Quantum Physics · Physics 2025-07-24 Shishir Khandelwal , Armin Tavakoli

We discuss how to simulate simple quantum logic operations with a large number of qubits. These simulations are needed for experimental testing of scalable solid-state quantum computers. Quantum logic for remote qubits is simulated in a…

Quantum Physics · Physics 2007-05-23 G. P. Berman , G. D. Doolen , D. I. Kamenev , V. I. Tsifrinovich

The emerging field of quantum simulation of many-body systems is widely recognized as a very important application of quantum computing. A crucial step towards its realization in the context of many-electron systems requires a rigorous…

Atomic Physics · Physics 2021-08-23 Sumeet , V. S. Prasannaa , B. P. Das , B. K. Sahoo

A quantum computer promises efficient processing of certain computational tasks that are intractable with classical computer technology. While basic principles of a quantum computer have been demonstrated in the laboratory, scalability of…

Quantum Physics · Physics 2007-05-23 Robert Raussendorf , Hans J. Briegel

Quantum simulation represents the most promising quantum application to demonstrate quantum advantage on near-term noisy intermediate-scale quantum (NISQ) computers, yet available quantum simulation algorithms are prone to errors and thus…

Quantum Physics · Physics 2024-10-01 Shin Sun , Li-Chai Shih , Yuan-Chung Cheng

Quantum simulation is a leading candidate for demonstrating practical quantum advantage over classical computation, as it is believed to provide exponentially more compute power than any classical system. It offers new means of studying the…

Quantum Physics · Physics 2026-01-23 Maja Franz , Lukas Schmidbauer , Joshua Ammermann , Ina Schaefer , Wolfgang Mauerer

Many claims of computational advantages have been made for quantum computing over classical, but they have not been demonstrated for practical problems. Here, we present algorithms for solving time-dependent PDEs, with particular reference…

Quantum Physics · Physics 2025-06-17 Sachin S. Bharadwaj , Katepalli R. Sreenivasan

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 Variational Circuits (QVCs) are often claimed as one of the most potent uses of both near term and long term quantum hardware. The standard approaches to optimizing these circuits rely on a classical system to compute the new…

Quantum Physics · Physics 2022-02-11 Owen Lockwood

Accurately predicting response properties of molecules such as the dynamic polarizability and hyperpolarizability using quantum mechanics has been a long-standing challenge with widespread applications in material and drug design. Classical…

Chemical Physics · Physics 2020-09-01 Xiaoxia Cai , Wei-Hai Fang , Heng Fan , Zhendong Li

Continuum models to handle solvent and electrolyte effects in an effective way have a long tradition in quantum-chemistry simulations and are nowadays also being introduced in computational condensed-matter and materials simulations. A key…

The implementation and practicality of quantum algorithms highly hinge on the quality of operations within a quantum processor. Therefore, including realistic error models in quantum computing simulation platforms is crucial for testing…

Quantum Physics · Physics 2021-04-12 Ahmed Abid Moueddene , Nader Khammassi , Koen Bertels , Carmen G. Almudever

In this review we give a brief overview of quantum simulation as applied to the study of complex systems. In particular, we cover the basic ideas of quantum simulation, neuromorphic computation, the Sachdev-Ye-Kitaev model, as well as…

Quantum Physics · Physics 2025-05-28 Oliver Morsch , G. Massimo Palma , Davide Rossini

Variational quantum algorithms are of special importance in the research on quantum computing applications because of their applicability to current Noisy Intermediate-Scale Quantum (NISQ) devices. The main building blocks of these…