Related papers: Non-Markovian Vibrational Relaxation Dynamics at S…
We study relaxation dynamics in a strongly-interacting two-site Fermi-Hubbard model that is induced by coupling each site to a local fermionic bath. To derive the proper form of the Lindblad operators that enter an effective description of…
We present a new algorithm to solve the equations of radiation hydrodynamics (RHD) in a frequency-integrated, two-moment formulation. Novel features of the algorithm include i) the adoption of a non-local Variable Eddington Tensor (VET)…
We explore and describe the roles of inter-molecular vibrations employing a Brownian oscillator (BO) model with linear-linear (LL) and square-linear (SL) system-bath interactions, which we use to analyze two-dimensional (2D) THz-Raman…
We focus on a highly nonlinear evolutionary abstract PDE system describing volume processes coupled with surfaces processes in thermoviscoelasticity, featuring the quasi-static momentum balance, the equation for the unidirectional evolution…
Molecular dynamics (MD) simulations are used to investigate $^1$H nuclear magnetic resonance (NMR) relaxation and diffusion of bulk $n$-C$_5$H$_{12}$ to $n$-C$_{17}$H$_{36}$ hydrocarbons and bulk water. The MD simulations of the $^1$H NMR…
Nanoscale devices - either biological or artificial - operate in a regime where the usual assumptions of a structureless, Markovian, bath do not hold. Being able to predict and study the dynamics of such systems is crucial and is usually…
We analyze the steady-state characteristics of a damped harmonic oscillator (system) in presence of a non-Markovian bath characterized by Lorentzian spectral density. Although Markovian baths presume memoryless dynamics, the introduction of…
We study the dynamics of relaxation and thermalization in an exactly solvable model with the goal of understanding the effects of off-shell processes. The focus is to compare the exact evolution of the distribution function with different…
We investigate the dressed bound states (DBS) in an open cavity with a whispering-gallery-mode microring coupled to a two-level atom and a waveguide with a mirror at the right end. We demonstrate that the non-Hermiticity of an open cavity…
This paper presents a three-dimensional analytical study of the intrinsic free vibration of an elastic multilayered hollow sphere interacting with an exterior non-Newtonian fluid medium. The fluid is assumed to be characterized by a…
The ultrafast quantum dynamics of photophysical processes in complex molecules is an extremely challenging computational problem with a wide variety of fascinating applications in quantum chemistry and biology. Inspired by recent…
In this work, the vibrational dynamics and spectroscopy of deuterated water molecules (D$_{2}$O) mimicking dense water layers at room temperature on the surfaces of two different C/N based materials with different N content and pore size,…
We introduce a computational framework for simulating non-adiabatic vibronic dynamics on circuit quantum electrodynamics (cQED) platforms. Our approach leverages hybrid oscillator-qubit quantum hardware with mid-circuit measurements and…
Here we address a fundamental issue in surface physics: the dynamics of adsorbed molecules. We study this problem when the particle's desorption is characterized by a non Markovian process, while the particle's adsorption and its motion in…
We present a combined experimental and theoretical study of the surface vibrational modes of the topological insulator Bi$_2$Te$_3$. Using high-resolution helium-3 spin-echo spectroscopy we are able to resolve the acoustic phonon modes of…
We study theoretically and experimentally the electronic relaxation of NO2 molecules excited by absorption of one ~400 nm pump photon. Semi-classical simulations based on trajectory surface hopping calculations are performed. They predict…
The linear and quadratic interactions of an impurity vibrational mode coupled with a heat bath are investigated with a non-Markovian equation of motion for the reduced density matrix valid for the initial, intermediate and kinetic stages of…
Dynamic surface effects in the isoscalar dipole modes of heavy nuclei are studied within a semiclassical model based on the solution of the Vlasov kinetic equation for finite Fermi systems with a moving surface. In order to clarify the role…
Many physical and chemical processes in the condensed phase environment exhibit non-Markovian quantum dynamics. As such simulations are challenging on classical computers, we developed a variational quantum algorithm that is capable of…
We introduce sbml4md, a newly developed algorithm implemented as a software package to extract parameters of multimode anharmonic Brownian (MAB) models from molecular dynamics (MD) trajectories for simulating nonlinear vibrational spectra…