Related papers: Transition state theory applied to self-diffusion …
The glass transition of a hard sphere system is investigated within the framework of the density functional theory (DFT). Molecular dynamics (MD) simulations are performed to study dynamical behavior of the system on the one hand and to…
Diffusion models have demonstrated remarkable performance in generating high-dimensional samples across domains such as vision, language, and the sciences. Although continuous-state diffusion models have been extensively studied both…
The rate of escape of an ideal bead-spring polymer in a symmetric double-well potential is calculated using transition state theory (TST) and the results compared with direct dynamical simulations. The minimum energy path of the transitions…
The statistical mechanics of phase transitions in dense systems of polydisperse particles presents distinctive challenges to computer simulation and analytical theory alike. The core difficulty, namely dealing correctly with particle size…
We propose a method of describing a phase transition in a cell fluid model with pair interaction potential that includes repulsive and attractive parts. An exact representation of the grand partition function of this model is obtained in…
A method for measuring translational diffusion constant in liquids via NOON state is described using a quantum circuit and is experimentally demonstrated using a model system. When compared with the standard single quantum method, the NOON…
Conditional diffusion models serve as the foundation of modern image synthesis and find extensive application in fields like computational biology and reinforcement learning. In these applications, conditional diffusion models incorporate…
A known limitation of time-dependent mean-field approaches is a lack of quantum tunneling for collective motions such as in sub-barrier fusion reactions. As a first step toward a solution, a time-dependent model is considered using a…
We apply the Thermal Field Theory methods to study the propagation of photons in a plasma layer, that is a plasma in which the electrons are confined to a two-dimensional plane sheet. We calculate the photon self-energy and determine the…
We have considered a model of a small finite system with internal particles and surface degrees of freedom. All the main statistical distributions were explicitly obtained, on a pre thermodynamic limit basis. The concept of temperature or…
Biomolecular folding, at least in simple systems, can be described as a two state transition in a free energy landscape with two deep wells separated by a high barrier. Transition paths are the short part of the trajectories that cross the…
Just as transition rates in a canonical ensemble must respect the principle of detailed balance, constraints exist on transition rates in driven steady states. I derive those constraints, by maximum information-entropy inference, and apply…
The combination of protrusions and retractions in the movement of polarized cells leads to understand the effect of possible synchronisation between the two ends of the cells. This synchronisation, in turn, could lead to different dynamics…
Experimental data on the viscosity and self-diffusion coefficient of two metallic compounds in their fluid phases, i.e. potassium and thallium, are modeled using the translational elastic mode theory which has been successfully applied to…
A comparison theorem for state-dependent regime-switching diffusion processes is established, which enables us to control pathwisely the evolution of the state-dependent switching component simply by Markov chains. Moreover, a sharp…
We investigate the critical behavior of a reaction-diffusion system exhibiting a continuous absorbing-state phase transition. The reaction-diffusion system strictly conserves the total density of particles, represented as a non-diffusive…
We consider an isolated point defect embedded in a homogeneous crystalline solid. We show that, in the harmonic approximation, a periodic supercell approximation of the formation free energy as well as of the transition rate between two…
Based on the phenomenological theory of heat diffusion, we show that the generated peak temperature $T_{\text{max}}$ after absorption of a laser pulse strongly depends on the pulse duration. We identify three different heat conduction…
Radiative energy transfer between closely spaced bodies is known to be significantly larger than that predicted by classical radiative transfer because of tunneling due to evanescent waves. Theoretical analysis of near--field radiative…
A method-of-moments scheme is invoked to compute the asymptotic, long-time mean (or composite) velocity and dispersivity (effective diffusivity) of a two-state particle undergoing one-dimensional convective-diffusive motion accompanied by a…