Related papers: Methods for molecular dynamics with nonadiabatic t…
This paper establishes a robust link between quantum dynamics and classical ones by deriving probabilistic representation for both continuous time and discrete time quantum walks. We first adapt Molchanov formula, originally employed in the…
We present an efficient \textit{ab initio} algorithm for quantum dynamics simulations of interacting systems that is based on the conditional decomposition of the many-body wavefunction [Phys. Rev. Lett. 113, 083003 (2014)]. Starting with…
We show that the correspondence between quantum and classical mechanics can be tuned by varying the coupling strength between the cavity modes and an atom or a molecule. In the acceleration gauge the cavity-matter system is represented by…
We derive a time-dependent master equation for an externally driven system whose subsystems weakly interact with each other and locally connect to the thermal reservoirs. The nonadiabatic equation obtained here can be viewed as a…
In this article we give an overview of the concept of universal dynamics near non-thermal fixed points in isolated quantum many-body systems. We outline a non-perturbative kinetic theory derived within a Schwinger-Keldysh closed-time…
Quantum computers are susceptible to noises from the outside world. We investigate the effect of perturbation on the hitting time of a quantum walk and the stationary distribution prepared by a quantum walk based algorithm. The perturbation…
The viability of adiabatic quantum computation depends on the slow evolution of the Hamiltonian. The adiabatic switching theorem provides an asymptotic series for error estimates in $1/T$, based on the lowest non-zero derivative of the…
We benchmark a selection of semiclassical and perturbative dynamics techniques by investigating the correlated evolution of a cavity-bound atomic system to assess their applicability to study problems involving strong light-matter…
Single-particle tracking allows to infer the motion of single molecules in living cells. When we observe a long trajectory (more than 100 points), it is possible that the particle switches mode of motion over time. Then, fitting a single…
We discuss nuclear dynamics at molecule-metal interfaces including non-equilibrium molecular junctions. Starting from the many-body states (pseudoparticle) formulation of the molecule-metal system in the molecular vibronic basis, we…
We consider the evolution of a quantum state of a Hamiltonian which is parametrically perturbed via a term proportional to the adiabatic parameter \lambda (t). Starting with the Pechukas-Yukawa mapping of the energy eigenvalues evolution on…
By resorting to a model inspired to the standard Davydov and Holstein-Fr\"ohlich models, in the present paper we study the motion of an electron along a chain of heavy particles modelling a sequence of nucleotides proper to a DNA fragment.…
We present a new formulation of the correlated electron-ion dynamics (CEID) scheme, which systematically improves Ehrenfest dynamics by including quantum fluctuations around the mean-field atomic trajectories. We show that the method can…
Adiabatic transformation can be approximated as alternating unitary operators of a Hamiltonian and its parameter derivative as proposed in a gate-based approach to counterdiabatic driving (van Vreumingen, arXiv:2406.08064). In this paper,…
In quantum information processing, the development of fast and robust control schemes remains a central challenge. Although quantum adiabatic evolution is inherently robust against control errors, it typically demands long evolution times.…
An approximate method based on adiabatic time dependent density functional theory (TDDFT) is presented, that allows for the description of the electron dynamics in nanoscale junctions under arbitrary time dependent external potentials. In…
Quantum walks are promising tools based on classical random walks, with plenty of applications such as many variants of optimization. Here we introduce the semiclassical walks in discrete time, which are algorithms that combines classical…
We look at the time dependent fluctuations of the electrical charge in an open 1D quantum system represented by a quantum dot experiencing random lateral motion. In essentially non-adiabatic settings we study both diffusive and ballistic…
This article deals with non-adiabatic processes (i.e. processes excluded by the adiabatic theorem) from the geometrical (group-theoretical) point of view. An approximated formula for the probabilities of the non-adiabatic transitions is…
The accuracy of the noninteracting electron approximation is examined for a model of vibrationally coupled electron transport in single molecule junction. In the absence of electronic-vibrational coupling, steady state transport in this…