adiabatic-molecular-dynamics

There are 0 repository under adiabatic-molecular-dynamics topic.

• AkimovLab / Project_NBRA-BL-NA-MD_SiNCs

  This repository contains the working files used in the work "Hot Electron Cooling in Silicon Nanoclusters via Landau-Zener Non-Adiabatic Molecular Dynamics: Size Dependence and Role of Surface Termination"

  dftbxyzxyz-filestrajectoriesadiabatic-molecular-dynamicslandau-zener
  Language:Python 1