Related papers: Describing NMR chemical exchange by effective phas…
Translational diffusion coefficients are routinely estimated from molecular dynamics simulations. Linear fits to mean squared displacement (MSD) curves have become the de facto standard, from simple liquids to complex biomacromolecules.…
The coherence of electron spin can be significantly enhanced by locking the Overhauser field from nuclear spins using the nuclear spin preparation. We propose a theoretical model to calculate the long time dynamics of the Overhauser field…
We present a new efficient method for Monte Carlo simulations of diffusion-reaction processes. First introduced by us in [Phys. Rev. Lett., 97:230602, 2006], the new algorithm skips the traditional small diffusion hops and propagates the…
We consider nucleon-nucleon (NN) interactions from chiral effective field theory. In this work we restrict ourselves to the elastic NN scattering. We apply the N/D method to calculate the NN partial waves taking as input the one-pion…
Diffusion magnetic resonance imaging (dMRI) is a relatively modern technique used to study tissue microstructure in a non-invasive way. Non-Gaussian diffusion representation is related to the restricted diffusion and can provide information…
Using the method of perturbed angular correlation of gamma rays, diffusional jump-frequencies of probe atoms can be measured through relaxation of the nuclear quadrupole interaction. This was first shown in 2004 for jumps of tracer atoms…
The continuous time random walk model plays an important role in modeling of so called anomalous diffusion behaviour. One of the specific property of such model are constant time periods visible in trajectory. In the continuous time random…
Four-spin exchange interaction has been raising intriguing questions regarding the exotic phase transitions it induces in two-dimensional quantum spin systems. In this context, we investigate the effects of a cyclic four-spin exchange in…
We demonstrate ionization of a molecule with the bias voltage of a Scanning Tunnelling Microscope (STM) resulting in a coexistence of a neutral and ionic molecules, i.e. radical (paramagnetic) and non-radical (diamagnetic) states. This…
Stochastic chemical systems with diffusion are modeled with a reaction-diffusion master equation. On a macroscopic level, the governing equation is a reaction-diffusion equation for the averages of the chemical species. On a mesoscopic…
We propose an approach to probe coherent spin-state dynamics of molecules using circularly polarized hard x-ray pulses. For the dynamically aligned nitric oxide molecules in a coherent superposition spin-orbit coupled electronic state that…
The methods of Nuclear Magnetic Resonance belong to the best developed and often used tools for studying random motion of particles in different systems, including soft biological tissues. In the long-time limit the current mathematical…
We study the diffusion of a linear polymer in the presence of permeable membranes without excluded volume interactions, using scaling theory and Monte Carlo simulations. We find that the average time it takes for a chain with polymerization…
In synaptic molecular communication, the activation of postsynaptic receptors by neurotransmitters (NTs) is governed by a stochastic reaction-diffusion process and, hence, inherently random. It is currently not fully understood how this…
We investigate three different methods for systematically approximating the diffusion coefficient of a deterministic random walk on the line which contains dynamical correlations that change irregularly under parameter variation. Capturing…
Partial diffusion scheme is an effective method for reducing computational load and power consumption in adaptive network implementation. The Information is exchanged among the nodes, usually over noisy links. In this paper, we consider a…
We characterize a transition from normal to ballistic diffusion in a bouncing ball dynamics. The system is composed of a particle, or an ensemble of non-interacting particles, experiencing elastic collisions with a heavy and periodically…
The quantum normal form approach to quantum transition state theory is used to compute the cumulative reaction probability for collinear exchange reactions. It is shown that for heavy atom systems like the nitrogen exchange reaction the…
We consider a basic one-dimensional model of diffusion which allows to obtain a diversity of diffusive regimes whose speed depends on the moments of the per-site trapping time. This model is closely related to the continuous time random…
Numerical mode matching (NMM) methods are widely used for analyzing wave propagation and scattering in structures that are piece-wise uniform along one spatial direction. For open structures that are unbounded in transverse directions…