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Dirac-Frenkel variational method with Davydov D2 trial wavefunction is extended by introducing a thermalization algorithm and applied to simulate dynamics of a general open quantum system. The algorithm allows to control temperature…

Quantum Physics · Physics 2021-03-04 Mantas Jakučionis , Darius Abramavičius

In this letter, we introduce a novel method for investigating dissipation (gain) and thermalization in an open quantum system. In this method, the quantum system is coupled linearly with a copy of itself or with another system described by…

We present a wavefunction methodology to account for finite temperature initial conditions in the quantum Rabi model. The approach is based on the Davydov-Ansatz together with a statistical sampling of the canonical harmonic oscillator…

Quantum Physics · Physics 2018-01-17 Michael Werther , Frank Grossmann

The Dirac-Frenkel time-dependent variational approach with Davydov Ans\"atze is a sophisticated, yet efficient technique to obtain an acuurate solution to many-body Schr\"odinger equations for energy and charge transfer dy- namics in…

Quantum Physics · Physics 2017-04-26 Lu Wang , Yuta Fujihashi , Lipeng Chen , Yang Zhao

We perform benchmark simulations using the time-dependent variational approach with the multiple Davydov Ansatz (mDA) to study realtime nonequilibrium dynamics in a single qubit model coupled to two thermal baths with distinct temperatures.…

Quantum Physics · Physics 2025-10-13 Chenlin Ma , Fulu Zheng , Kewei Sun , Lu Wang , Yang Zhao

Using the Dirac-Frenkel variational principle, a time-dependent description of the dynamics of a two-level system coupled to a bosonic bath is formulated. The method is applied to the case of a gas of cold atoms adsorbing to an elastic…

Mesoscale and Nanoscale Physics · Physics 2024-12-04 Dennis P. Clougherty

Recently, Dammak and coworkers (H. Dammak, Y. Chalopin, M. Laroche, M. Hayoun, and J.J. Greffet. Quantumthermal bath for molecular dynamics simulation. Phys. Rev. Lett., 103:190601, 2009.) proposed that the quantum statistics of vibrations…

Materials Science · Physics 2011-05-30 Jean-Louis Barrat , David Rodney

Preparing thermal states on a quantum computer can have a variety of applications, from simulating many-body quantum systems to training machine learning models. Variational circuits have been proposed for this task on near-term quantum…

Quantum Physics · Physics 2021-11-09 Jonathan Foldager , Arthur Pesah , Lars Kai Hansen

Emulating thermal observables on a digital quantum computer is essential for quantum simulation of many-body physics. However, thermalization typically requires a large system size due to incorporating a thermal bath, whilst limited…

Quantum Physics · Physics 2025-03-12 H. Perrin , T. Scoquart , A. I. Pavlov , N. V. Gnezdilov

Optimizing open quantum system evolution is an important step on the way to achieving quantum computing and quantum thermodynamic tasks. In this article, we approach optimisation via variational principles and derive an open quantum system…

Quantum Physics · Physics 2018-10-17 Nishchay Suri , Felix C. Binder , Bhaskaran Muralidharan , Sai Vinjanampathy

We introduce a finite-time protocol that thermalizes a quantum harmonic oscillator, initially in its ground state, without requiring a macroscopic bath. The method uses a second oscillator as an effective environment and implements sudden…

Quantum Physics · Physics 2026-05-05 M. Harinarayanan , Karthik Rajeev

The linear absorption spectrum of J and H molecular aggregates is studied using the time-dependent Dirac-Frenkel variational principle (TDVP) with the multi-Davydov D2 (mD2) trial wavefunction (Ansatz). Both the electronic and vibrational…

Chemical Physics · Physics 2023-06-02 Mantas Jakučionis , Agnius Žukas , Darius Abramavičius

We present systematic comparison of three quantum mechanical approaches describing excitation dynamics in molecular complexes using the Time-Dependent variational principle (TDVP) with three increasing sophistication trial wavefunctions…

Chemical Physics · Physics 2023-06-02 Mantas Jakučionis , Agnius Žukas , Darius Abramavičius

Developed originally for the Holstein polaron, the Davydov D1 ansatz is an efficient, yet extremely accurate trial state for time-dependent variation of the spin-boson model [J. Chem. Phys. 138, 084111 (2013)]. In this work, the…

Quantum Physics · Physics 2013-08-09 Liwei Duan , Hui Wang , Qinghu Chen , Yang Zhao

Understanding the microscopic mechanisms of thermalization in closed quantum systems is among the key challenges in modern quantum many-body physics. We demonstrate a method to probe local thermalization in a large-scale many-body system by…

We present a quantum simulation method that follows the dynamics of out-of-equilibrium many-body systems of electrons and oscillators in real time. Its cost is linear in the number of oscillators and it can probe timescales from attoseconds…

Mesoscale and Nanoscale Physics · Physics 2016-01-28 Valerio Rizzi , Tchavdar N. Todorov , Jorge J. Kohanoff , Alfredo A. Correa

Understanding and optimizing the relaxation dynamics of many-body systems is essential both for foundational studies in quantum thermodynamics and for applications such as quantum simulation and quantum computing. Efficient preparation of…

We study thermalization dynamics in a fermion-phonon variant of the Sachdev-Ye-Kitaev model coupled to an external cold thermal bath of harmonic oscillators. We find that quantum critical fermions thermalize more efficiently than phonons,…

Strongly Correlated Electrons · Physics 2023-10-02 Hossein Hosseinabadi , Shane P. Kelly , Jörg Schmalian , Jamir Marino

The eigenstate thermalisation hypothesis resolves the paradox of emergent thermal or classical behaviour in a closed quantum system by focussing upon local observations. This permits the remainder of the system to act as a bath,…

Strongly Correlated Electrons · Physics 2019-09-11 Andrew Hallam , James Morley , Andrew G. Green

In this paper, we investigate the use of variational quantum algorithms for simulating the thermodynamic properties of dinuclear metal complexes. Our study highlights the potential of quantum computing to transform advanced simulations and…

Quantum Physics · Physics 2024-10-28 Ana Clara das Neves Silva , Clebson Cruz
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