Explore the fundamentals of Molecular Dynamics (MD) in this 45-minute introductory lecture from NPTEL-NOC IITM. Delve into key concepts including the LAMMPS webpage, visualization techniques, general input structure, and interatomic potentials. Learn about forces on atoms, cluster potentials, the Lennard-Jones potential, cut-off radius, and Periodic Boundary Conditions. Gain essential knowledge to begin your journey into the world of molecular dynamics simulations.
Overview
Syllabus
Introduction
LAMMPS webpage
Visualization
General input structure
Interatomic potentials
Forces on atoms
Cluster potentials V
Lennard-Jones potential
Cut-off radius
Periodic Boundary Conditions
Taught by
NPTEL-NOC IITM
