Related papers: Intrinsic Calibration of Molecular Alignment Using…
For the study of complex synthetic and biological molecular systems by computer simulations one is still restricted to simple model systems or to by far too small time scales. To overcome this problem multiscale techniques are being…
We present an analytical model for the frequency response of a gas microbubble oscillating near a spherical inclusion of arbitrary size and mechanical nature (rigid, fluid, or viscoelastic) immersed in a viscous compressible fluid. The…
We investigate the dynamics of a Bose-Einstein condensate of magnetic atoms in which the dipoles are rotated by an external magnetic field. The time-averaged dipole-dipole interaction between the atoms is effectively tuned by this rotation,…
New stochastic approaches for the computation of electronic excitations are developed within the many-body perturbation theory. Three approximations to the electronic self-energy are considered: $G_0W_0$, $G_0W_0^tc$, and…
The determination of chemical mixture components is vital to a multitude of scientific fields. Oftentimes spectroscopic methods are employed to decipher the composition of these mixtures. However, the sheer density of spectral features…
We analyze a stimulated revival (echo) effect for the breathing modes of the atomic oscillations in optical lattices. The effect arises from the dephasing due to the weak anharmonicity being partly reversed in time by means of additional…
Correlation effects of an electron gas in an external potential are derived using an Effective Action functional method. Corrections beyond the random phase approximation (RPA) are naturally incorporated by this method. The Effective Action…
Echo protocols provide a means to investigate the arrow of time in macroscopic processes. Starting from a nonequilibrium state, the many-body quantum system under study is evolved for a certain period of time $\tau$. Thereafter, an…
The electromagnetic radiation of a rotating relativistic electron layers is studied numerically using particle-in-cell simulation. The results of the simulation confirm all relevant scaling properties predicted by theoretical models. These…
Molecular simulations and biophysical experiments can be used to provide independent and complementary insights into the molecular origin of biological processes. A particularly useful strategy is to use molecular simulations as a modelling…
Long ranged electrostatic interactions are time consuming to calculate in molecular dynamics and Monte-Carlo simulations. We introduce an algorithmic framework for simulating charged particles which modifies the dynamics so as to allow…
A numerical simulation of vibrational excitation of molecules was devised, and used to excite computational models of common molecules into a prescribed, pure, normal vibration mode in the ground electronic state, with varying, controlable…
The construction of accurate interatomic potentials, and related fields of forces, from equilibrium conformational distributions of molecules is a crucial step in coarse-grained modeling. In this work we show that in order to develop…
In this paper, we propose a novel concept for engineered molecular communication (MC) systems inspired by animal olfaction. We focus on a multi-user scenario where transmitters employ unique mixtures of different types of signaling…
The transport of molecules in confined media is subject to entropic barriers. So theoretically, asymmetry of the confinement length may lead to molecular ratchets with entropy as the only driving force for the biased transport. We address…
The rapidly rotational motion of C$_{60}$ molecules provides us with an ingenious way to test Mashhoon's spin-rotation coupling. The spin-rotation coupling of electrons in the rotating C$_{60}$ molecule is considered in the present letter.…
In acousto-electric tomography the goal is to reconstruct the electric conductivity in a domain from electrostatic boundary measurements of corresponding currents and voltages, while the domain is penetrated by a time-dependent acoustic…
We introduce a theory for the absorption of electromagnetic radiation by small metal particles, which generalises the random phase approximation by incorporating both electric and magnetic dipole absorption within a unified self-consistent…
The unfolding of molecular complexes or biomolecules under the influence of external mechanical forces can routinely be simulated with atomistic resolution. To obtain a match of the characteristic time scales with those of experimental…
We prove the existence of a solution to an equation governing the number density within a compact domain of a discrete particle system for a prescribed class of particle interactions taking into account the effects of the diffusion and…