English
Related papers

Related papers: Non-adiabatic molecular quantum dynamics with quan…

200 papers

Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…

Quantum Physics · Physics 2021-12-06 Chee-Kong Lee , Jonathan Wei Zhong Lau , Liang Shi , Leong Chuan Kwek

We present a detailed derivation and numerical tests of a new mixed quantum-classical scheme to deal with non-adiabatic processes. The method is presented as the zero-th order approximation to the exact coupled dynamics of electrons and…

Chemical Physics · Physics 2015-06-22 Federica Agostini , Ali Abedi , E. K. U. Gross

A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new…

Chemical Physics · Physics 2018-04-04 Loïc Joubert-Doriol , Artur F. Izmaylov

One of the main aims in the field of quantum simulation is to achieve a quantum speedup, often referred to as "quantum computational supremacy", referring to the experimental realization of a quantum device that computationally outperforms…

Quantum Physics · Physics 2018-04-18 J. Bermejo-Vega , D. Hangleiter , M. Schwarz , R. Raussendorf , J. Eisert

We introduce a quantum algorithm for simulating the time-dependent Dirac equation in 3+1 dimensions using discrete-time quantum walks. Thus far, promising quantum algorithms have been proposed to simulate quantum dynamics in…

Quantum computing offers the promise of speedups for scientific computations, but its application to reacting flows is hindered by nonlinear source terms, the challenges of time-dependent simulations, and the difficulty of extracting…

Quantum Physics · Physics 2026-03-17 Jizhi Zhang , Ziang Yang , Zhaoyuan Meng , Zhen Lu , Yue Yang

In this introductory review, we focus on applications of quantum computation to problems of interest in physics and chemistry. We describe quantum simulation algorithms that have been developed for electronic-structure problems,…

Quantum Physics · Physics 2014-04-16 Man-Hong Yung , James D. Whitfield , Sergio Boixo , David G. Tempel , Alán Aspuru-Guzik

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

We present an end-to-end quantum algorithm for simulating nonlinear dynamics described by a system of stochastic dissipative differential equations with a quadratic nonlinearity. The stochastic part of the system is modeled by a Gaussian…

Quantum Physics · Physics 2025-10-07 Sergey Bravyi , Robert Manson-Sawko , Mykhaylo Zayats , Sergiy Zhuk

Every physical regime is some sort of approximation of reality. One lesser-known realm that is the semiquantal regime, which may be used to describe systems with both classical and quantum subcomponents. In the present review, we discuss…

Chaotic Dynamics · Physics 2009-11-07 Mason A. Porter

Designing quantum algorithms with a speedup over their classical analogs is a central challenge in quantum information science. Motivated by recent experimental observations of a superlinear quantum speedup in solving the Maximum…

We propose a hybrid quantum-classical approximate optimization algorithm for photonic quantum computing, specifically tailored for addressing continuous-variable optimization problems. Inspired by counterdiabatic protocols, our algorithm…

Quantum Physics · Physics 2024-10-03 Pranav Chandarana , Koushik Paul , Mikel Garcia-de-Andoin , Yue Ban , Mikel Sanz , Xi Chen

Quantum computing has attracted considerable attention in recent years because it promises speed-ups that conventional supercomputers cannot offer, at least for some applications. Though existing quantum computers are, in most cases, still…

Geophysics · Physics 2024-05-08 Malte Schade , Cyrill Boesch , Vaclav Hapla , Andreas Fichtner

The study of many-body quantum dynamics in strongly-correlated systems is extremely challenging. To date few numerical methods exist which are capable of simulating the non-equilibrium dynamics of two-dimensional quantum systems, in part…

Quantum Physics · Physics 2024-09-17 S. J. Thomson , J. Eisert

We develop a semi-classical method to simulate the motion of atoms in a dissipative optical lattice. Our method treats the internal states of the atom quantum mechanically, including all nonadiabatic couplings, while position and momentum…

Atomic Physics · Physics 2009-11-11 S. Jonsell , C. M. Dion , M. Nylén , S. J. H. Petra , P. Sjölund , A. Kastberg

In quantum information processing, the development of fast and robust control schemes remains a central challenge. Although quantum adiabatic evolution is inherently robust against control errors, it typically demands long evolution times.…

Quantum Physics · Physics 2026-01-16 Tonghao Xing , Jiang Zhang , Guilu Long

Quantum computing holds great promise to accelerate scientific computations in fluid dynamics and other classical physical systems. While various quantum algorithms have been proposed for linear flows, developing quantum algorithms for…

Fluid Dynamics · Physics 2025-02-25 Boyuan Wang , Zhaoyuan Meng , Yaomin Zhao , Yue Yang

A generalized formalism of the so-called non-adiabatic quantum molecular dynamics is presented, which applies for atomic many-body systems in external laser fields. The theory treats the nuclear dynamics and electronic transitions…

Atomic Physics · Physics 2007-05-23 Thomas Kunert , Ruediger Schmidt

Quantum computing uses the physical principles of very small systems to develop computing platforms which can solve problems that are intractable on conventional supercomputers. There are challenges not only in building the required…

Quantum Physics · Physics 2024-11-19 Dieter Jaksch , Peyman Givi , Andrew J. Daley , Thomas Rung

Adiabatic quantum computation provides an alternative approach to quantum computation using a time-dependent Hamiltonian. The time evolution of entanglement during the adiabatic quantum search algorithm is studied, and its relevance as a…

Quantum Physics · Physics 2009-11-11 Daria Ahrensmeier