Related papers: Phase space structures causing the reaction rate d…
We present quantum mechanical explanations for unresolved phenomena observed in field-free molecular alignment by a femtosecond laser pulse. Quantum phase analysis of molecular rotational states reveals the physical origin of the following…
The gas-phase hydrogen exchange reaction (HER) is the most fundamental chemical process for benchmarking quantum reaction dynamics. In this Letter, we focus on controlling HER by means of strong light-matter coupling inside a resonant…
The cross sections of the $^3$He($\alpha$,$\alpha$)$^3$He and $^3$He($\alpha$,$\gamma$)$^7$Be reactions are studied at low energies using a simple two-body model in combination with a double-folding potential. At very low energies the…
The computational modelling of reactions is simple in theory but can be quite tricky in practice. This article aims at the purpose of providing an assistance to a proper way of describing reactions theoretically and provides rough…
A one-dimensional model on a line of the length L is investigated, which involves particle diffusion as well as single particle annihilation. There are also creation and annihilation at the boundaries. The static and dynamical behaviors of…
One of the hypothesized functions of biomolecular condensates is to act as chemical reactors, where chemical reactions can be modulated, i.e. accelerated or slowed down, while substrate molecules enter and products exit from the condensate.…
For scalar reaction-diffusion in one space dimension, it is known for a long time that fronts move with an exponentially small speed for potentials with several distinct mini- mizers. The purpose of this paper is to provide a similar result…
The scalar field theory and the scalar electrodynamics quantized in the flat gap are considered. The dynamical effects arising due to the boundary presence with two types of boundary conditions (BC) satisfied by scalar fields are studied.…
Dynamics of the magnetospheric plasma configuration intrinsically features intermittent slow and fast phases. The fast transition is a nonlinear process, loss of equilibrium which ends up the slow quasi-static evolution. The process is…
Recent experimental results about the formation of molecular hydrogen on astrophysically relevant surfaces under conditions close to those encountered in the interstellar medium are analyzed using rate equations. The parameters of the rate…
We investigate elastic, inelastic, and coalescent collisions between two-dimensional flat-top solitons supported by the cubic-quintic nonlinear Schr\"odinger equation. Numerical simulations reveal distinct collision regimes ranging from…
In the wake of previous studies on the rattling-and-jumping diffusion in smectic liquid crystal phases of colloidal rods, we analyze here for the first time the heterogeneous dynamics in columnar phases. More specifically, we perform…
Precise solutions of the Hartree-Fock equations for the ground state of the hydrogen molecule are obtained for a wide range of internuclear distances R by means of a two-dimensional fully numerical mesh computational method. The spatial…
The liquid-gas phase transition is studied in a multi-component nuclear system using a local Skyrme interaction with Coulomb and surface effects. Some features are qualitatively the same as the results of Muller and Serot which uses…
Vibrational energy flows unevenly in molecules, repeatedly going back and forth between trapping and roaming. We identify bottlenecks between diffusive and chaotic behavior, and describe generic mechanisms of these transitions, taking the…
Rotating turbulence is an example of a three-dimensional system in which an inverse cascade of energy, from the small to the large scales, can be formed. While usually understood as a byproduct of the typical bidimensionalization of…
Many biological molecular motors and machines are driven by chemical reactions that occur in specific catalytic sites. We study whether the arrival of molecules to such an active site can be accelerated by the presence of a nearby inactive…
In the free energy landscape picture of glassy systems, the slow dynamics characteristic of these systems is believed to be due to the existence of a complicated free-energy landscape with many local minima. We show here that for a…
Diffusion is often accompanied by a reaction or sorption which can induce temperature inhomogeneities. Monte Carlo simulations of Lennard-Jones atoms in zeolite NaCaA are reported with a hot zone presumed to be created by a reaction. Our…
We study the ring-opening decomposition of ethylene carbonate in the presence of a single lithium atom and on the surface of lithium metal. Combining accurate electronic structure theory, enhanced sampling, and machine learning, we…