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Related papers: Analog quantum simulation of chemical dynamics

200 papers

Molecules are the most demanding quantum systems to be simulated by quantum computers because of their complexity and the emergent role of quantum nature. The recent theoretical proposal of Huh et al. (Nature Photon., 9, 615 (2015)) showed…

Quantum Physics · Physics 2018-02-06 Yangchao Shen , Joonsuk Huh , Yao Lu , Junhua Zhang , Kuan Zhang , Shuaining Zhang , Kihwan Kim

Modeling the dynamics of a quantum system connected to the environment is critical for advancing our understanding of complex quantum processes, as most quantum processes in nature are affected by an environment. Modeling a macroscopic…

We show that quantum number preserving Ans\"{a}tze for variational optimization in quantum chemistry find an elegant mapping to ultracold fermions in optical superlattices. Using native Hubbard dynamics, trial ground states of molecular…

Quantum Gases · Physics 2025-02-26 Fotios Gkritsis , Daniel Dux , Jin Zhang , Naman Jain , Christian Gogolin , Philipp M. Preiss

Spectroscopy is the most important method for probing the structure of molecules. However, predicting molecular spectra on classical computers is computationally expensive, with the most accurate methods having a cost that grows…

Quantum Physics · Physics 2025-10-06 Liam P. Flew , Ivan Kassal

Attochemistry aims to exploit the properties of coherent electronic wavepackets excited via attosecond pulses, to control the formation of photoproducts. Such molecular processes can in principle be simulated with various nonadiabatic…

Chemical Physics · Physics 2024-05-28 Thierry Tran , Anthony Ferté , Morgane Vacher

We describe and demonstrate a method for the computation of quantum dynamics on small, noisy universal quantum computers. This method relies on the idea of `restarting' the dynamics; at least one approximate time step is taken on the…

Quantum Physics · Physics 2019-10-15 Matthew Otten , Cristian L. Cortes , Stephen K. Gray

Predictive simulation of surface chemistry is of paramount importance for progress in fields from catalysis to electrochemistry and clean energy generation. Ab-initio quantum many-body methods should be offering deep insights into these…

Materials Science · Physics 2025-01-03 Zigeng Huang , Zhen Guo , Changsu Cao , Hung Q. Pham , Xuelan Wen , George H. Booth , Ji Chen , Dingshun Lv

While quantum simulation is one of the most promising applications of modern quantum devices, accessible simulation times are fundamentally limited by finite coherence times due to omnipresent noise. Based on the ideas of relational…

Quantum Physics · Physics 2025-09-03 Sebastian Gemsheim , Felix Fritzsch

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…

Analog quantum simulators and digital quantum computers are two distinct paradigms driving near-term applications in modern quantum science, from probing many-body phenomena to identifying computational advantage over classical systems. A…

Enhancing optical nonlinearities so that they become appreciable on the single photon level and lead to nonclassical light fields has been a central objective in quantum optics for many years. After this has been achieved in individual…

Quantum Physics · Physics 2016-09-20 Michael J. Hartmann

A universal quantum simulator would enable efficient simulation of quantum dynamics by implementing quantum-simulation algorithms on a quantum computer. Specifically the quantum simulator would efficiently generate qubit-string states that…

Quantum Physics · Physics 2013-07-08 Barry C. Sanders

A custom-built and precisely controlled quantum system may offer access to a fundamental understanding of another, less accessible system of interest. A universal quantum computer is currently out of reach, but an analog quantum simulator…

A central challenge in analog quantum simulation is to characterize desirable physical properties of quantum states produced in experiments. However, in conventional approaches, the extraction of arbitrary information requires performing…

Quantum Physics · Physics 2023-04-04 Minh C. Tran , Daniel K. Mark , Wen Wei Ho , Soonwon Choi

Quantum computing is emerging as a new computational paradigm with the potential to transform several research fields, including quantum chemistry. However, current hardware limitations (including limited coherence times, gate infidelities,…

While quantum simulators promise to explore quantum many-body physics beyond classical computation, their capabilities are limited by the available native interactions in the hardware. On many platforms, accessible Hamiltonians are largely…

Quantum Physics · Physics 2025-12-29 Or Katz , Alexander Schuckert , Tianyi Wang , Eleanor Crane , Alexey V. Gorshkov , Marko Cetina

Digital-analog is a quantum computational paradigm that employs the natural interaction Hamiltonian of a system as the entangling resource, combined with single qubit gates, to implement universal quantum operations. As in the case of its…

Quantum Physics · Physics 2026-03-11 Mikel Garcia-de-Andoin , Thorge Müller , Gonzalo Camacho

Quantum computing is of great potential for chemical system simulations. In this study, we propose an efficient protocol of quantum computer based simulation of chemical systems which enables accurate chemical reaction modeling on noisy…

Parallelism of tight-binding molecular dynamics simulations is presented by means of the order-N electronic structure theory with the Wannier states, recently developed (J. Phys. Soc. Jpn. 69,3773 (2000)). An application is tested for…

Materials Science · Physics 2009-11-10 Masaaki Geshi , Takeo Hoshi , Takeo Fujiwara

Simulating quantum many-body systems is crucial for advancing physics but poses substantial challenges for classical computers. Quantum simulations overcome these limitations, with analog simulators offering unique advantages over digital…

Quantum Physics · Physics 2025-01-30 Rui-Cheng Guo , Yanwu Gu , Dong E. Liu