Related papers: Gated reactions in discrete time and space
In the quantum degenerate regime, atoms and molecules can occupy a single quantum state, forming coherent matter waves. Here reactions are described by nonlinear mixing of the matter waves, giving rise to quantum many-body chemistry, where…
Vesicle-mediated secretion of ions or molecules is a central mechanism of cellular communication, for example in processes such as neurotransmission or hormone release. These events are inherently stochastic: vesicle fusions lead to bursts…
Despite the common expectation that conjugated organic molecules on metals tend to adsorb in a flat-lying wetting layer, several recent studies have found strong indications for coverage-dependent transitions to upright-standing phases,…
The kinetics of bimolecular reactions in solution depends, among other factors, on intermolecular forces such as steric repulsion or electrostatic interaction. Microscopically, a pair of molecules first has to meet by diffusion before the…
Chemical reaction networks in living cells maintain precise control over thousands of metabolites despite operating far from equilibrium under constant perturbations. While mass action kinetics accurately describe the underlying dynamics,…
The path from understanding a simple reaction problem of scattering or tunneling to contemplating the quantum nuclear many-body system, where structure and continuum of reaction-states meet, overlap and coexist, is a complex and nontrivial…
We discuss a discrete-time model for motion of substance in a channel of a network. For the case of stationary motion of the substance and for the case of time-independent values of the parameters of the model we obtain a new class of…
We have numerically studied the trapping problem in a two-dimensional lattice where particles are continuously generated. We have introduced interaction between particles and directionality of their movement. This model presents a critical…
In this work, we demonstrate that Linear Discriminant Analysis (LDA) applied to atomic positions in two different states of a biomolecule produces a good reaction coordinate between those two states. Atomic coordinates of a macromolecule…
While there are many well-known and extensively tested results involving diffusion-limited binary reactions, reactions involving subdiffusive reactant species are far less understood. Subdiffusive motion is characterized by a mean square…
We propose a method to induce strong effective interactions between photons mediated by an atomic ensemble. To achieve this, we use the so-called stationary light effect to enhance the interaction. Regardless of the single-atom coupling to…
We present a generalized kinetic model for gas-solid heterogeneous reactions taking place at the interface between two phases. The model studies the reaction kinetics by taking into account the reactions at the interface, as well as the…
We use Stokesian Dynamics simulations to study the microscopic motion of particles suspended in fluids passing through porous media. We construct model porous media with fixed spherical particles, and allow mobile ones to move through this…
We study the motion of two non-interacting quantum particles performing a random walk on a line and analyze the probability that the two particles are detected at a particular position after a certain number of steps (meeting problem). The…
Earlier it has been supposed that energy of molecules depends on interatomic distance according to the curve 1, Fig. 1. However, dissociation of molecules (for example, Te2=2Te) often is a chemical reaction. According to chemical kinetics,…
This review discusses the dynamics of negative ion reactions with neutral molecules in the gas phase. Most anion-molecule reactions proceed via a qualitatively different interaction potential than cationic or neutral reactions. It has been…
Reaction-diffusion equations are widely used as the governing evolution equations for modeling many physical, chemical, and biological processes. Here we derive reaction-diffusion equations to model transport with reactions on a…
We propose a unifying theoretical framework for the analysis of first-passage time distributions in two important classes of stochastic processes in which the diffusivity of a particle evolves randomly in time. In the first class of…
The exact mean time between encounters of a given particle in a system consisting of many particles undergoing random walks in discrete time is calculated, on both regular and complex networks. Analytical results are obtained both for…
Quantum chemical studies of reactivity involve calculations on a large number of molecular structures and comparison of their energies. Already the set-up of these calculations limits the scope of the results that one will obtain, because…