QUANTUM-CLASSICAL CALCULATIONS OF THE NANOMECHANICAL PROPERTIES OF METALS

QUANTUM-CLASSICAL CALCULATIONS OF THE NANOMECHANICAL PROPERTIES OF METALS

Molecular-dynamics (MD) simulations constitute an important tool in the study of nanoscale metallic systems, especially so in the face of the difficulties plaguing their experimental analysis. Main limitations of the MD method stem from the empirical nature of the potentials employed, their functio...

Full description

Bibliographic Details
Main Author: JACEK DZIEDZIC
Format: Article
Language:English
Published: Gdańsk University of Technology 2009-07-01
Series:TASK Quarterly
Subjects:
hybrid methods
cross-scaling
molecular-dynamics
tight-binding
learn-on-the-fly
nanoscale
Online Access:https://journal.mostwiedzy.pl/TASKQuarterly/article/view/2014

Similar Items

Similar Items