Related papers: Zero-Point Energy Leakage in Quantum Thermal Bath …
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…
We demonstrate the accuracy and efficiency of a recently introduced approach to account for nuclear quantum effects (NQE) in molecular simulations: the adaptive Quantum Thermal Bath (adQTB). In this method, zero point energy is introduced…
Lattice vibrations within crystalline solids, or phonons, provide information on a variety of important material characteristics, from thermal qualities to optical properties and phase transition behaviour. When the material contains light…
In the research of condensed matter, atomistic dynamic simulations play a crucial role, particularly in revealing dynamic processes, phase transitions and thermodynamic statistics macroscopic physical properties in systems such as solids…
The machine learning potential (MLP) based molecular dynamics (MD) method was applied for constructing the pressure-temperature phase diagram in the barium titanate (BaTiO3) crystals. The nuclear quantum effects (NQEs) on the phase…
Quantum effects of lattice vibration play a major role in many physical properties of condensed matter systems, including thermal properties such as specific heat, structural phase transition, as well as phenomena such as quantum crystal…
Nuclear quantum effects (NQEs) are often central to a predictive understanding of chemical reactions and rates. While their incorporation in gas-phase reactions is well established, studies involving condensed matter often neglect or…
First-principles molecular dynamics (FPMD) simulations were applied for the paraelectric-ferroelectric phase transition in the perovskite-type cadmium titanate, CdTiO3. Since the phase transition is reported to occur at the low temperature…
We address the out-of-equilibrium dynamics arising from quantum-quench (QQ) protocols (instantaneous changes of the Hamiltonian parameters) in many-body systems within their quantum critical regime and in contact with thermal baths,…
Quantum batteries (QBs) have emerged as a promising route for fast energy storage and on-chip power supply in quantum devices. Given the limited analytical understanding of open Floquet QBs, we employ the kicked-Ising model as a tractable…
A key quantity characterizing a time-periodically forced quantum system coupled to a heat bath is the energy flowing in the steady state through the system into the bath, where it is dissipated. We derive a general expression which allows…
Quantum collision model provides a promising tool for investigating system-bath dynamics. Most of the studies on quantum collision models work in the resonant regime. In quantum dynamics, the off-resonant interaction often brings in…
We calculate the exact Landau-Zener transitions probabilities for a qubit with arbitrary linear coupling to a bath at zero temperature. The final quantum state exhibits a peculiar entanglement between the qubit and the bath. In the special…
In this article we argue that thermal reservoirs (baths) are potentially useful resources in processes involving atoms interacting with quantized electromagnetic fields and their applications to quantum technologies. One may try to suppress…
Leakage errors, in which a qubit is excited to a level outside the qubit subspace, represent a significant obstacle in the development of robust quantum computers. We present a computationally efficient simulation methodology for studying…
We study how universal properties of quantum quenches across critical points are modified by a weak coupling to thermal dissipation, focusing on the paradigmatic case of the transverse field Ising model. Beyond the standard quench-induced…
We investigate the nonlinear scattering theory for quantum systems with strong Seebeck and Peltier effects, and consider their use as heat-engines and refrigerators with finite power outputs. This article gives detailed derivations of the…
Using both simulation and experiment, we investigate the robustness of dynamical decoupling sequences to pulse errors: rotation errors and detuning errors. Whereas prior work examined the effect of errors on coherence times, here we show…
We systematically explore and show the existence of finite-temperature continuous quantum phase transition (CTQPT) at a critical point, namely, during solidification or melting such that the first-order thermal phase transition is a special…
A model for the thermodynamics of a quantum heat bath is introduced. Under the assumption that the bath molecules have finitely many degrees of freedom and are weakly interacting, we present a general derivation of the equation of state of…