Molecular Dynamics Simulations with LAMMPS

Course level: 

Beginner, intermediate

Target audience: 

Undergraduate/graduate students of fundamental sciences and engineering

Researchers new to molecular dynamics simulations

R&D employees from companies

Goals:

Understand the basic ideas behind molecular dynamics

Learn about the algorithms that go into coding a molecular dynamics algorithm

Learn the basics of LAMMPS Molecular Dynamics Simulator

Learn to run LAMMPS on an HPC system

Style of the course:

First some light background, then learn the more intricate technical details via exercises

The exercises will follow a theme that we will develop progressively

Prerequisites:

NOTE that these prerequisites are not a must, you can understand most of the lectures without these.

Basic familiarity with Newton’s laws of motion (high-school level)

Basic familiarity with calculus (college freshman level)

What you will be able to do at the end:

Be able to plan and run a LAMMPS calculation for simple tasks

Be able to analyze the results of a LAMMPS run