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We demonstrate an approach for calculating temperature-dependent quantum and anharmonic effects with beyond density-functional theory accuracy. By combining machine-learned potentials and the stochastic self-consistent harmonic…

Materials Science · Physics 2023-03-03 Carla Verdi , Luigi Ranalli , Cesare Franchini , Georg Kresse

Problems of heat transport are ubiquitous to various technologies such as power generation, cooling, electronics, and thermoelectrics. In this paper we advocate for the application of the quantum self-consistent reservoir method, which is…

Mesoscale and Nanoscale Physics · Physics 2019-01-30 Roya Moghaddasi Fereidani , Dvira Segal

Building upon the work of Hu, Paz, and Zhang [1,2] on open quantum systems we consider the quantum Brownian motion (QBM) model with one oscillator (position variable $x$) as the system, {\it nonlinearly} coupled to an environment of $N$…

Quantum Physics · Physics 2026-02-23 Hing-Tong Cho , Bei-Lok Hu

Small quantum systems non-weakly coupled to a bath become in the quantum regime surrounded by a cloud of photons or phonons, which modifies their thermodynamic behavior. Exactly solvable examples are the Brownian motion of a quantum…

Mesoscale and Nanoscale Physics · Physics 2015-06-24 Th. M. Nieuwenhuizen

The recent advancement of quantum computer hardware offers the potential to simulate quantum many-body systems beyond the capability of its classical counterparts. However, most current works focus on simulating the ground-state properties…

Quantum Physics · Physics 2022-06-14 Chee Kong Lee , Shi-Xin Zhang , Chang-Yu Hsieh , Shengyu Zhang , Liang Shi

The thermodynamic uncertainty relation, originally derived for classical Markov-jump processes, provides a trade-off relation between precision and dissipation, deepening our understanding of the performance of quantum thermal machines.…

Statistical Mechanics · Physics 2021-03-31 Junjie Liu , Dvira Segal

Quantum simulation is one of the most promising scientific applications of quantum computers. Due to decoherence and noise in current devices, it is however challenging to perform digital quantum simulation in a regime that is intractable…

Quantum coherence has been shown to impact the operational capabilities of quantum systems performing thermodynamic tasks in a significant way, and yet the possibility and conditions for genuine coherence-enhanced thermodynamic operation…

Quantum Physics · Physics 2025-10-08 José A. Almanza-Marrero , Gonzalo Manzano

A quasi-static process is realized in a purely quantum-mechanical model which is described by oscillator (or particle) systems having relative-phase interactions. Time development of a mixture of two oscillator (or particle) systems which…

Statistical Mechanics · Physics 2016-08-31 T. Kobayashi

By performing an ensemble of molecular dynamics simulations, the model-dependent ionisation state is computed for strongly interacting systems self-consistently. This is accomplished through a free energy minimisation framework based on the…

Recent studies have extensively explored chaotic dynamics in quantum optical systems through the mean-field approximation, which corresponds to an ideal, fluctuation-free scenario. However, the inherent sensitivity of chaos to initial…

Quantum Physics · Physics 2026-01-16 Mei-Qi Gao , Song-hai Li , Xun Li , Xingli Li , Jiong Cheng , Wenlin Li

Lie-algebraic and quantum-algebraic techniques are used in the analysis of thermodynamic properties of molecules and solids. The local anharmonic effects are described by a Morse-like potential associated with the $su(2)$ algebra. A…

Statistical Mechanics · Physics 2007-05-23 Maia Angelova

A Langevin canonical framework for a chiral two-level system coupled to a bath of harmonic oscillators is used within a coupling scheme different from the well-known spin-boson model. From this stochastic dynamics, within the Markovian…

Knowledge of lattice anharmonicity is essential to elucidate distinctive thermal properties in crystalline solids. Yet, accurate \textit{ab initio} investigations of lattice anharmonicity encounter difficulties owing to the cumbersome…

Materials Science · Physics 2022-04-13 Zhen Zhang , Dong-Bo Zhang , Tao Sun , Renata M. Wentzcovitch

We use the quantum action to study the dynamics of quantum system at finite temperature. We construct the quantum action non-perturbatively and find temperature dependent action parameters. Here we apply the quantum action to study quantum…

Quantum Physics · Physics 2016-08-16 L. A. Caron , H. Kröger , X. Q. Luo , G. Melkonyan , K. J. M. Moriarty

The state-dependent diffusion, which concerns the Brownian motion of a particle in inhomogeneous media has been described phenomenologically in a number of ways. Based on a system-reservoir nonlinear coupling model we present a microscopic…

Statistical Mechanics · Physics 2007-05-23 Debashis Barik , Deb Shankar Ray

Most material properties of great physical interest are directly related to nuclear dynamics, e.g. the ionic thermal conductivity, Raman/IR vibrational spectra, inelastic X-ray, and Neutron scattering. A theory able to compute from first…

Statistical Mechanics · Physics 2021-03-31 Lorenzo Monacelli , Francesco Mauri

The non-Markovia dynamics of quantum evolution plays an important role in open quantum sytem. However, how to quantify non-Markovian behavior and what can be obtained from non- Markovianity are still open questions, especially in complex…

To take into account nuclear quantum effects on the dynamics of atoms, the path integral molecular dynamics (PIMD) method used since 1980s is based on the formalism developed by R. P. Feynman. However, the huge computation time required for…

Computational Physics · Physics 2019-05-08 H. Dammak , M. Hayoun , F Brieuc , G. Geneste

Quantum illumination uses quantum correlations to enhance the detection of an object in the presence of background noise. This advantage has been shown to exist even if one uses non-optimal direct measurements on the two correlated modes.…

Quantum Physics · Physics 2023-11-06 Thomas Brougham , Nigam Samantaray , John Jeffers