Related papers: Computing dielectric spectra in molecular dynamics…
Nonadiabatic phenomena are investigated in the rovibrational motion of molecules confined in an infrared cavity. Conical intersections (CIs) between vibrational polaritons, similar to CIs between electronic polaritonic surfaces, are found.…
The screened electron-electron interaction in a multi-band electron system is calculated within the random phase approximation and in the tight-binding representation. The obtained dielectric matrix contains, beside the usual site-site…
We describe an ion-based cavity-QED system in which the internal dynamics of an atom is coupled to the modes of an optical cavity by vacuum-stimulated Raman transitions. We observe Raman spectra for different excitation polarizations and…
A two-dimensional binary composite system composed of ellipse inclusions and a host medium is considered. Dielectric permittivity of the system is calculated as a function of orientation angle, the volume fraction of the inclusions and…
Simplifying composite open quantum systems through model reduction is central to enable their analytical and numerical understanding. In this work, we introduce a self-consistent approach to eliminate the cavity degrees of freedom of cavity…
Theoretical approach is proposed to description of dielectric properties of matrix disperse systems which consists of dielectric matrix with embedded in metallic inclusions. On the basis of effective differential medium approximation the…
In molecular dynamics (MD) simulations, transitions between states are often rare events due to energy barriers that exceed the thermal temperature. Because of their infrequent occurrence and the huge number of degrees of freedom in…
A molecular dynamics (MD) simulation is used to quantitatively analyze the induced membrane potential for an applied external field varied between 0.4 V/nm to 2.0 V/nm. The change in the electrostatic potential in the DPPC is directly…
We present a framework for quantization of electromagnetic field in the presence of dielectric media with time-varying optical properties. Considering a microscopic model for the dielectric as a collection of matter fields interacting with…
Decoherence is a major obstacle to any practical implementation of quantum information processing. One of the leading strategies to reduce decoherence is dynamical decoupling --- the use of an external field to average out the effect of the…
Diffusion Transformers (DiTs) have demonstrated strong performance in generative modeling, particularly in image synthesis, making them a compelling choice for molecular conformer generation. However, applying DiTs to molecules introduces…
The magnitude of the relative permittivity of the ferroelectric nematic phase (NF) is under a lively scientific discussion since the phase was recently discovered. Dielectric spectroscopy measurements (DSM) give a huge value of relative…
We study the impact of an environment on the electromagnetic responses of a molecule in the presence of a dielectric medium. By applying the dipole-dipole coupling between the molecule's and the environment's degrees of freedom, we can…
A weakly conducting liquid droplet immersed in another leaky dielectric liquid can exhibit rich dynamical behaviors under the effect of an applied electric field. Depending on material properties and field strength, the nonlinear coupling…
There has been much interest recently in the analysis of optomechanical systems incorporating dielectric nano- or microspheres inside a cavity field. We analyse here the situation when one of the mirrors of the cavity itself is also allowed…
Mixed-quantum classical (MQC) methods for simulating the dynamics of molecules at metal surfaces have the potential to accurately and efficiently provide mechanistic insight into reactive processes. Here, we introduce simple two-dimensional…
The strengths and short-comings of the point-dipole model for polar fluids of spherical molecules are illustrated by considering the physically more relevant case of extended dipoles formed by two opposite charges $\pm q$ separated by a…
We compute the interaction energies of a two-atom system placed in the middle of a perfectly reflecting planar cavity, in the perturbative regime. Explicit expressions are provided for the van der Waals potentials of two polarisable atomic…
A two-component two-dimensional (2D) dipolar bosonic system in the bilayer geometry is considered. By performing quantum Monte Carlo simulations in a wide range of layer spacings we analyze in detail the pair correlation functions, the…
We evaluate the exact dipole coupling strength between a single emitter and the radiation field within an optical cavity, taking into account the effects of multilayer dielectric mirrors. Our model allows one to freely vary the resonance…