Related papers: Path Integral Lindblad Dynamics in Presence of Tim…
Path integrals have, over the years, proven to be an extremely versatile tool for simulating the dynamics of open quantum systems. The initial limitations of applicability of these methods in terms of the size of the system has steadily…
The Lindblad equation determines the time evolution of the density operator of open quantum systems. While valid for any system size, its use is, in practice, restricted to prototype/surrogate models with the aim of tackling specific…
The presence of loss mechanisms governed by empirical time-scales affect the dynamics and spectra of systems in profound ways. However, incorporation of these effects and their interaction with the thermal dissipative environments…
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…
Studies of the dynamics of a quantum system coupled to baths are typically performed by utilizing the Nakajima-Zwanzig memory kernel (${\mathcal{K}}$) or the influence functions ($\mathbf{{I}}$), especially when the dynamics exhibit memory…
The quantum thermal average plays a central role in describing the thermodynamic properties of a quantum system. Path integral molecular dynamics (PIMD) is a prevailing approach for computing quantum thermal averages by approximating the…
A general theoretical approach to study the quantum kinetics in a system coupled to a bath is proposed. Starting with the microscopic interaction, a Lindblad master equation is established, which goes beyond the common secular…
This study employed an artificial intelligence-enhanced molecular simulation framework to enable efficient Path Integral Molecular Dynamics (PIMD) simulations. Owing to its modular architecture and high-throughput capabilities, the…
The path integral molecular dynamics (PIMD) method provides a convenient way to compute the quantum mechanical structural and thermodynamic properties of condensed phase systems at the expense of introducing an additional set of…
We introduce a novel simple algorithm for thermostatting path integral molecular dynamics (PIMD) with the Langevin equation. The staging transformation of path integral beads is employed for demonstration. The optimum friction coefficients…
We present a numerical path-integral iteration scheme for the low dimensional reduced density matrix of a time-dependent quantum dissipative system. Our approach simultaneously accounts for the combined action of a microscopically modelled…
The coherent quantum dynamics of a single bosonic spin variable, subject to a constraint derived from the quantum spherical model of a ferromagnet, and coupled to an external heat bath, is studied through the Lindblad equation for the…
Coupled Lindblad pseudomode theory is a promising approach for simulating non-Markovian quantum dynamics on both classical and quantum platforms, with dynamics that can be realized as a quantum channel. We provide theoretical evidence that…
If we use the path integral approach, we can write quantum electrodynamics (QED) in a way that is manifestly relativistic. However the path integrals are confined to paths that are on mass-shell. What happens if we extend QED by computing…
We investigate the Lindblad equation in the context of boundary-driven magnetization transport in spin-$1/2$ chains. Our central question is whether the nonequilibrium steady state of the open system, including its buildup in time, can be…
Open quantum systems exhibit dynamics ranging from unitary evolution to irreversible dissipation. While the Gorini--Kossakowski--Sudarshan--Lindblad (GKSL) equation uniquely characterizes Markovian CPTP evolution, many physical platforms…
Massively parallel computer architectures create new opportunities for the performance of long-timescale molecular dynamics (MD) simulations. Here, we introduce the path-accelerated molecular dynamics (PAMD) method that takes advantage of…
We present a new method to derive kinetic equations for systems undergoing non-linear transport in the presence of memory effects. In the framework of mesoscopic nonequilibrium thermodynamics, we derive a generalized Fokker-Planck equation…
In this article, we investigate periodically driven open quantum systems within the framework of Floquet-Lindblad master equations. Specifically, we discuss Lindblad master equations in the presence of a coherent, time-periodic driving and…
In view of the ultrashort spatial and temporal scales involved, carrier capture processes in nanostructures are genuine quantum phenomena. To describe such processes, methods with different levels of approximations have been developed. By…