Introduction to LAMMPS for ACES
Overview
Instructor: Andrew Palughi
Time: Tuesday, October 4, 2022 — 1:30PM-4:00PM
Location: online using Zoom
Prerequisites: Current ACCESS ID or HPRC account
This short course provides an introduction to atomistic modeling with classical potentials using LAMMPS. During this course, attendees will work through examples modeling bulk and nanomaterials and calculating material properties. This course is intended to give attendees hands-on experience using molecular dynamics software available on HPRC systems.
Course Materials
Presentation slides
The presentation slides are available as a downloadable PDF.
Agenda
Topics covered include:
- Visualizing atomic structure
- Building and modifying atomic structures
- Computing energies of atomic structure
- Relaxing atomic structures using energy minimization
- Running molecular dynamics simulations