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Molecular Dynamics Course

Molecular Dynamics Course
from 4 to 360h flexible workload
certificate valid in your country

What will I learn?

Master essential molecular dynamics skills in this focused course on Lennard-Jones systems, reduced units, and practical simulation setup. Learn to initialize positions and velocities, choose stable time steps, apply thermostats, and ensure equilibration. You will compute key observables such as energy, pressure, temperature, MSD, and g(r), assess errors, avoid common pitfalls, and present clear, publication-ready results with confidence.

Elevify advantages

Develop skills

  • Set up LJ MD runs: build boxes, assign velocities, and enforce PBCs fast.
  • Control MD quality: tune Δt, thermostats, and neighbor lists for stability.
  • Compute key observables: energy, pressure, T, MSD, and g(r) with error bars.
  • Analyze temperature effects: track diffusion, structure, and phase-like changes.
  • Design clear MD reports: justify parameters and present publication-ready plots.

Suggested summary

Before starting, you can change the chapters and workload. Choose which chapter to start with. Add or remove chapters. Increase or decrease the course workload.
Workload: between 4 and 360 hours

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