Related papers: Accurate biomolecular simulations account for elec…
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…
Quantum chemical calculations on quantum computers have been focused mostly on simulating molecules in gas-phase. Molecules in liquid solution are however most relevant for Chemistry. Continuum solvation models represent a good compromise…
When polarized electrons traverse a region where the laser light is focused their polarization varies even if their energy and direction of motion are not changed. This effect is due to interference of the incoming electron wave and an…
Electrostatic interactions play an important role in numerous self-assembly phenomena, including colloidal aggregation. Although colloids typically have a dielectric constant that differs from the surrounding solvent, the effective…
Biophotonic signaling via axons has been proposed as a potential mode of neural communication, where information might be encoded not only in photon number and wavelength but also in polarization. Although earlier computational studies have…
We extend the semiclassical two-step model [Phys. Rev. A 94, 013415 (2016)] to include a multielectron polarization-induced dipole potential. Using this model we investigate the imprints of multielectron effects in the momentum…
The biomolecules in and around a living cell -- proteins, nucleic acids, lipids, carbohydrates -- continuously sample myriad conformational states that are thermally accessible at physiological temperatures. Simultaneously, a given…
Recent molecular dynamics simulations show that thermal gradients can induce electric fields in water that are comparable in magnitude to electric fields seen in ionic thin films and biomembranes. This surprising non-equilibrium phenomenon…
The polarisation of cells and tissues is fundamental for tissue morphogenesis during biological development and regeneration. A deeper understanding of biological polarity pattern formation can be gained from the consideration of pattern…
We consider emission of a photon by an electron in the field of a strong laser wave. A probability of this process for circularly or linearly polarized laser photons and for arbitrary polarization of all other particles is calculated. We…
Polariton chemistry exploits the strong interaction between quantized excitations in molecules and quantized photon states in optical cavities to affect chemical reactivity. Molecular polaritons have been experimentally realized by the…
Computation of biological processes creates great promise for everyday life and great challenges for physical scientists. Simulations of molecular dynamics appeal to biologists as a natural extension of structural biology. Once biologists…
To include the bound electron effects in particle-in-cell (PIC) simulation, we propose a model in which the response of the dipole components of partially ionized ions to external electromagnetic fields can be included. Instead of treating…
Electrostatics in the solution phase is governed by free electrical charges such as ions, as well as by bound charges that arise when a polarizable medium responds to an applied field. In a local medium, described by a constant dielectric…
We investigate the role of the electron correlation effects in the calculations of the electric dipole polarizabilities (\alpha) of elements belonging to three different groups of periodic table. To understand the propagation of the…
Despite the intrinsic coupling between electric and magnetic fields in random stationary light, their polarization properties are not mutually determined. A complete second-order description thus necessitates a joint electromagnetic…
The interaction of energetic ions with the electronic and ionic system of target materials is an interesting but challenging multi-scale problem and understanding of the early stages after impact of heavy, initially charged ions is…
The charge transfer and polarization effects are important components in the molecular mechanism description of bio-molecules. Classical force field with fixed point charge cannot take into the account of the non-negligible correlation…
In these notes we present a detailed and complete scheme for the calculation of polarization phenomena in elastic electron-nucleon scattering. The longitudinal and transversal components of the polarization for the scattered nucleon,…
The effect of vacuum polarization on the parity violating asymmetry in the elastic electron-nucleus scattering is considered. Calculations are performed in the high-energy approximation with an exact account for the electric field of the…