About this document
Introduction to Molecular Dynamics by George Michael Alvarado Lopez is a document available to read on EtoBox.
This chapter provides an introduction to molecular dynamics modeling. It discusses using classical mechanics to model atomic motion by determining forces between atoms from potential energy functions. It introduces the Lennard-Jones potential model for atom-atom interactions and describes how to set initial positions and velocities for atoms. It also discusses using the LAMMPS software for practical molecular dynamics simulations and analyzing the results.
- Author
- George Michael Alvarado Lopez
- Language
- EN