Related papers: Computing dielectric spectra in molecular dynamics…
Introduction of a dielectric material in an NMR probe head modifies the frequency response of the probe circuit, a phenomenon revealed by the detuning of the probe. For NMR spectroscopy, this detuning is corrected for by tuning and matching…
We simulate the electrical response of multiple disjoint biological 3D cells undergoing an electropermeabilization process. Instead of solving the boundary value problem in the unbounded volume, we reduce it to a system of boundary…
We consider an optomechanical system comprising a single cavity mode and a dense spectrum of acoustic modes and solve for the quantum dynamics of initial cavity mode Fock (i.e., photon number) superposition states and thermal acoustic…
Recent experiments revealed that the dielectric dispersion spectrum of fission yeast cells in a suspension was mainly composed of two sub-dispersions. The low-frequency sub-dispersion depended on the cell length, while the high-frequency…
Recent molecular simulation and integral equation results alkali-halide ion pair potentials-of-mean-force in water are discussed. Dielectric model calculations are implemented to check that these models produce that characteristic structure…
Electron energy loss spectroscopy is consolidating as a powerful tool to explore electronic (as well as vibrational) excitations of matter, including molecules. Performed in a scanning transmission electron microscope, this technique is…
We present a mechanical platform with enhanced vibration damping properties for cavity quantum-electrodynamics experiments. It is based on a composite design that combines a soft, vibration-damping core with a rigid shell maintaining…
Molecular structure elucidation from spectra is a fundamental challenge in molecular science. Conventional approaches rely heavily on expert interpretation and lack scalability, while retrieval-based machine learning approaches remain…
Room temperature cavity quantum electrodynamics with molecular materials in optical cavities offers exciting prospects for controlling electronic, nuclear and photonic degrees of freedom for applications in physics, chemistry and materials…
Controlling the quantum field statistics of confined light is a long-standing goal in integrated photonics. We show that by coupling molecular vibrations with a confined mid-infrared cavity vacuum, the photocount and quadrature field…
This paper deals with the comparison of several stationary processes with unequal sample sizes. We provide a detailed theoretical framework on the testing problem for equality of spectral densities in the bivariate case, after which the…
Dynamical properties of homogeneous Fermi-Fermi mixtures of dipolar and non-dipolar atoms are studied at zero temperature, where dipoles are polarized by an external field. We calculate the density-density correlation functions in a…
We present an ab initio method for computing vibro-polariton and phonon-polariton spectra of molecules and solids coupled to the photon modes of optical cavities. We demonstrate that if interactions of cavity photon modes with both nuclear…
An overview is provided over the physics of dielectric microcavities with non-paraxial mode structure; examples are microdroplets and edge-emitting semiconductor microlasers. Particular attention is given to cavities in which two spatial…
In this manuscript we investigate the capabilities of the Discrete Dipole Approximation (DDA) to simulate scattering from particles that are much larger than the wavelength of the incident light, and describe an optimized publicly available…
Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking…
DL_POLY Quantum 2.1 is introduced here as a highly modular, sustainable, and scalable general-purpose molecular dynamics (MD) simulation software for large-scale long-time MD simulations of condensed phase and interfacial systems with the…
We develop a methodology for estimating parity-odd bispectra in the cosmic microwave background (CMB). This is achieved through the extension of the original separable modal methodology to parity-odd bispectrum domains ($\ell_1 + \ell_2 +…
In the first two papers in this series, we developed new shifted potential (SP), gradient shifted force (GSF), and Taylor shifted force (TSF) real-space methods for multipole interactions in condensed phase simulations. Here, we discuss the…
We study linear cocycles generated by nonautonomous delay equations in a suitable Hilbert space and their extensions, called compound cocycles, to exterior powers. Using a recent version of the frequency theorem, we develop analytical…