Molecular Dynamics Course
Build molecular dynamics expertise from basics: configure Lennard-Jones systems, select reliable time steps, manage temperature with thermostats, analyse g(r), MSD, energy, and pressure, while creating dependable simulations ready for physics research publications. This course equips you with practical tools for accurate modelling and clear reporting in scientific work.

from 4 to 360h flexible workload
valid certificate in your country
What will I learn?
Gain core skills in molecular dynamics focusing on Lennard-Jones systems, reduced units, and simulation setup. Master initializing positions and velocities, selecting stable time steps, using thermostats, achieving equilibration, computing observables like energy, pressure, temperature, MSD, and g(r), evaluating errors, dodging pitfalls, and delivering publication-quality results.
Elevify advantages
Develop skills
- Set up LJ MD simulations: create boxes, set velocities, apply PBCs efficiently.
- Ensure MD stability: adjust time steps, thermostats, and neighbour lists properly.
- Calculate observables: energy, pressure, temperature, MSD, g(r) including error estimates.
- Examine temperature impacts: monitor diffusion, structure, and phase transitions.
- Produce professional MD reports: explain choices and create publication-standard visuals.
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.What our students say
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