Related papers: Non-Adiabatic Quantum Molecular Dynamics with Deta…
We introduce an alternative way to derive the generalized form of the master equation recently presented by J. P. Pekola et al. [Phys. Rev. Lett. 105, 030401 (2010)] for an adiabatically steered two-level quantum system interacting with a…
Adiabatic approximations break down classically when a constant-energy contour splits into separate contours, forcing the system to choose which daughter contour to follow; the choices often represent qualitatively different behavior, so…
Reliable trajectory-based nonadiabatic quantum dynamics methods at the atomic level are critical for understanding many important processes in real systems. The paper reports latest progress of nonadiabatic field (NaF), a conceptually novel…
Classical simulation of quantum systems plays an important role in the study of many-body phenomena and in the benchmarking and verification of quantum technologies. Exact simulation is often limited to small systems because the dimension…
This paper is focused on the transient dynamics of an adiabatic nano-electromechanical system (NEMS), consisting of a nano-mechanical oscillator coupled to a quantum dot. By numerically solving the nonlinear stochastic differential equation…
Simulating the molecular dynamics (MD) using classical or semi-classical trajectories provides important details for the understanding of many chemical reactions, protein folding, drug design, and solvation effects. MD simulations using…
All physical theories should obey the second law of thermodynamics. However, existing proposals to describe the dynamics of hybrid classical-quantum systems either violate the second law or lack a proof of its existence. Here we rectify…
Non-equilibrium dynamics of the Ising model is a classical stochastic process whereas quantum mechanics has no stochastic elements in the classical sense. Nevertheless, it has been known that there exists a close formal relationship between…
We formulate a method for incorporating quantum fluctuations into molecular- dynamics simulations of many-body systems, such as those employed for energetic nuclear collision processes. Based on Fermi's Golden Rule, we allow spontaneous…
An approach to correlated dynamics of quantum nuclei and electrons both in dynamical interaction with external environments is presented. This stochastic quantum molecular dynamics rests on a theorem that establishes a one-to-one…
We study the statistical mechanics of classical and quantum systems in non-equilibrium steady states. Emphasis is placed on systems in strong thermal gradients. Various measures and functional forms of observables are presented. The quantum…
An elementary excitation in an aggregate of coupled particles generates a collective excited state. We show that the dynamics of these excitations can be controlled by applying a transient external potential which modifies the phase of the…
Ever since the formulation of quantum mechanics, there is very little understanding of the process of the collapse of a wavefunction. We have proposed a dynamical model to emulate the measurement postulates of quantum mechanics. We…
The nonequilibrium thermodynamics of interacting quantum many-body systems is investigated within the framework of thermal time-dependent density functional theory using a generalized linear-response formulation for the full quantum work…
Nonadiabatic dynamics methods are an essential tool for investigating photochemical processes. In the context of employing first principles electronic structure techniques, such simulations can be carried out in a practical manner using…
We review recent progress in the nonequilibrium dynamics of thermally isolated many-body quantum systems, evolving with an ensemble of Hamiltonians as opposed to deterministic evolution with a single time-dependent Hamiltonian. Such…
Accelerating quantum dynamical simulations with quantum computing has received considerable attention but remains a significant challenge. In variational quantum algorithms for quantum dynamics, designing an expressive and shallow-depth…
Quantum adiabatic evolution, an important fundamental concept inphysics, describes the dynamical evolution arbitrarily close to the instantaneous eigenstate of a slowly driven Hamiltonian. In most systems undergoing spontaneous…
The application of quantum Langevin equations for the study of non-equilibrium relaxations is illustrated in the exactly solved quantum spherical model. Tutorial sections on the physical background of non-markovian quantum noise, the…
The operation of near-term quantum technologies requires the development of feasible, implementable, and robust strategies of controlling complex many body systems. To this end, a variety of techniques, so-called "shortcuts to adiabaticty",…