Good Research Practice in MD Simulations - TUC/SWZ

Introduction
Infrastructures
- Software features
  Atomsk
  LAMMPS
  Install
  Running LAMMPS
  Automatizing complex workflows
  Resources
  OVITO
- Hardware options
  Personal PCs/Laptop
  Computing cluster at TU Clausthal
  HLRN
  Scientific Computing - Leibniz Universität IT Services
Workflows
- Documentation
  Logbook
Data Management Plan
- Phase 1: Internal
  Raw data storage
- Phase 2: Open Access
Best practices
Resources

Powered by GitBook

Software features

Atomsk LAMMPS OVITO

PreviousInfrastructures NextAtomsk

Last updated 1 month ago

On this page