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Atomistics Course

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

What will I learn?

The Atomistics Course gives you a practical toolkit to model Li conductors from crystal structure to transport properties. Learn to build supercells, introduce defects and dopants, choose DFT or MD methods, and set robust simulation parameters. You will analyze diffusion pathways, conductivities, and structure–property relations, enabling faster, more reliable design of high-performance solid-state materials.

Elevify advantages

Develop skills

  • Build atomistic Li conductor models: unit cells, supercells, and defects.
  • Run and tune MD simulations: ensembles, thermostats, barostats, and timesteps.
  • Analyze Li diffusion: MSD, van Hove, Arrhenius fits, and ionic conductivity.
  • Extract structure–property trends: bottlenecks, migration barriers, and dopants.
  • Use VESTA, VMD, OVITO, and pymatgen to automate visualization and data analysis.

Suggested summary

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

What our students say

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