A protocol combining molecular dynamics, density functional theory, machine learning, and kinetic Monte Carlo accurately predicts the dependence of charge mobility on mechanical deformations for organic semiconductors.

This study investigated the effectiveness of flipped classrooms in improving pre-service science teachers' performance kinetic molecular theory matter. It was carried out at Kibi Presbyterian College Education South Abuakwa Municipality Eastern Region Ghana. A classroom action research design used for this study. The sample involved 72 Elective Chemistry students level 200, whose other major su...

A theoretical description of electron transmission through a molecular wire embedded in between two leads is carried out using the density matrix method. Accounting for the Coulomb repulsion among the transferred electrons nonlinear kinetic equations for the reduced single-electron distributions are derived. The respective transfer rates contain contributions from different transmission channel...

In last years a great interest was brought to molecular transport problems at nanoscales, such as surface diffusion or molecular flows in nano or sub-nanochannels. In a series of papers V. D. Borman, S. Y. Krylov, A. V. Prosyanov and J. J. M. Beenakker proposed to use kinetic theory in order to analyze the mechanisms that determine mobility of molecules in nanoscale channels. This approach prov...