A consistent description of kinetics and hydrodynamics of systems of interacting particles by means of the nonequilibrium statistical operator method A statistical approach to a self-consistent description of kinetic and hydrody-namic processes in systems of interacting particles is formulated on the basis of the nonequilibrium statistical operator method by D.N.Zubarev. It is shown how to obta...

The free-energy landscape of glycerol permeation through the aquaglyceroporin GlpF has been estimated in the literature by the nonequilibrium method of steered molecular dynamics (SMD) simulations and by the equilibrium method of adaptive biasing force (ABF) simulations. However, the ABF results qualitatively disagree with the SMD results that were based on the Jarzynski equality (JE) relating ...

We propose a computational method to simulate non-Gaussian self-diffusion in a simple liquid. The method is based on nonequilibrium molecular dynamics (NEMD).

We apply the Yang-Lee theory of phase transitions to an urn model for the separation of sand. The effective partition function of this nonequilibrium system can be expressed as a polynomial of the size-dependent effective fugacity z. Numerical calculations show that in the thermodynamic limit the zeros of the effective partition function are located on the unit circle in the complex z plane. In...

We report a first principles analysis of electron-phonon coupling in molecular devices under external bias voltage and during current flow. Our theory and computational framework are based on carrying out density functional theory within the Keldysh nonequilibrium Green's function formalism. Using a molecular tunnel junction of a 1,4-benzenedithiolate molecule contacted by two aluminum leads as...

Micro-greens or sprouts are commonly used in the diet of many cultures owing to their health benefits. In this work we use a non-chemical solution method stimulate germination and growth seeds for sprouting, based on non-thermal plasma discharge (NTP). Such technology could represent an alternative not only reducing production costs growing micro-greens but also as pre-sowing slow germinating s...