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A new concept of the molecular structure optimization method based on quantum dynamics computations is presented. Nuclei are treated as quantum mechanical particles, as are electrons, and the many-body wave function of the system is…

Engineering and harnessing coherent excitonic transport in organic nanostructures has recently been suggested as a promising way towards improving man-made light harvesting materials. However, realising and testing the dissipative…

Quantum Physics · Physics 2018-06-19 A. W. Chin , E. Mangaud , O. Atabek , M. Desouter-Lecomte

Quantum computers are expected to help us to achieve accurate simulation of the dynamics of many-body quantum systems. However, the limitations of current NISQ devices prevents us from realising this goal today. Recently an algorithm for…

Quantum Physics · Physics 2021-08-17 Jonathan Wei Zhong Lau , Kishor Bharti , Tobias Haug , Leong Chuan Kwek

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

The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and biochemical systems, with substantial impacts on the fields of…

Predicting the quantum dynamics of promising solid-state and molecular quantum technology candidates remains a formidable challenge. Yet, accessing these dynamics is key to understanding and controlling decoherence mechanisms -- a…

Chemical Physics · Physics 2026-04-10 Tianchu Li , Pranay Venkatesh , Nanako Shitara , Andrés Montoya-Castillo

A discrete-event approach, which has already been shown to give a cause-and-effect explanation of many quantum optics experiments, is applied to single-neutron interferometry experiments. The simulation algorithm yields a logically…

Quantum Physics · Physics 2015-06-11 Hans De Raedt , Fengping Jin , Kristel Michielsen

We construct an efficient autonomous quantum-circuit design algorithm for creating efficient quantum circuits to simulate Hamiltonian many-body quantum dynamics for arbitrary input states. The resultant quantum circuits have optimal space…

Quantum Physics · Physics 2012-10-11 Sadegh Raeisi , Nathan Wiebe , Barry C. Sanders

Control of open quantum systems is an essential ingredient to the realization of contemporary quantum science and technology. We demonstrate such control by employing a thermodynamically consistent framework, taking into account the fact…

Quantum Physics · Physics 2022-05-13 Shimshon Kallush , Roie Dann , Ronnie Kosloff

Nuclear spins are highly coherent quantum objects. In large ensembles, their control and detection via magnetic resonance is widely exploited, e.g. in chemistry, medicine, materials science and mining. Nuclear spins also featured in early…

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

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

Simulation of quantum systems is notoriously challenging for classical computers, while quantum hardware is naturally well-suited for this task. However, the imperfections of contemporary quantum systems poses a considerable challenge in…

Quantum Physics · Physics 2025-01-10 Yotam Shapira , Jovan Markov , Nitzan Akerman , Ady Stern , Roee Ozeri

Quantum systems can be exquisite sensors thanks to their sensitivity to external perturbations. This same characteristic also makes them fragile to external noise. Quantum control can tackle the challenge of protecting quantum sensors from…

Quantum Physics · Physics 2018-06-13 F. Poggiali , P. Cappellaro , N. Fabbri

Fifty years of developments in nuclear magnetic resonance (NMR) have resulted in an unrivaled degree of control of the dynamics of coupled two-level quantum systems. This coherent control of nuclear spin dynamics has recently been taken to…

Quantum Physics · Physics 2015-06-26 Lieven M. K. Vandersypen , Isaac L. Chuang

Molecular Dynamics (MD) simulations are essential for understanding the atomic-level behavior of molecular systems, giving insights into their transitions and interactions. However, classical MD techniques are limited by the trade-off…

Biomolecules · Quantitative Biology 2026-04-21 Ziyang Yu , Wenbing Huang , Yang Liu

Quantum simulation aims to recreate complex many-body phenomena in controlled environments, offering insights into dynamics that are otherwise difficult to model. Existing platforms, however, are often complex and costly to scale, typically…

The propagation of excitation along a one-dimensional chain of atoms is simulated by means of NMR. The physical system used as an analog quantum computer is a nucleus of 133-Cs (spin 7/2) in a liquid crystalline matrix. The Hamiltonian of…

Quantum Physics · Physics 2009-11-07 A. K. Khitrin , B. M. Fung

The need for strategies able to accurately manipulate quantum dynamics is ubiquitous in quantum control and quantum information processing. We investigate two scenarios where randomized dynamical decoupling techniques become more…

Quantum Physics · Physics 2009-11-13 Lorenza Viola , Lea F. Santos

Quantum computing promises to revolutionize several scientific and technological domains through fundamentally new ways of processing information. Among its most compelling applications is digital quantum simulation, where quantum computers…

Quantum Physics · Physics 2026-02-05 Laurin E. Fischer