Atomistics Course
Gain expertise in atomistic modelling of Li conductors. Master building supercells, selecting DFT or MD methods and force fields, executing simulations, and deriving diffusion and conductivity data to accelerate solid-state battery material design. This course equips you with practical tools for reliable, high-performance material development.

flexible workload of 4 to 360h
valid certificate in your country
What will I learn?
This course provides hands-on skills to model lithium conductors from crystal structures to transport properties. You will learn to construct supercells, add defects and dopants, select DFT or MD techniques, optimise simulation settings, and evaluate diffusion paths, conductivities, and structure-property links for efficient solid-state material design.
Elevify advantages
Develop skills
- Build atomistic models of Li conductors including unit cells, supercells, and defects.
- Run and optimise MD simulations using ensembles, thermostats, barostats, and timesteps.
- Analyse Li diffusion with MSD, van Hove functions, Arrhenius fits, and ionic conductivity.
- Identify structure-property trends like bottlenecks, migration barriers, and dopant effects.
- Utilise VESTA, VMD, OVITO, and pymatgen for visualisation and data analysis automation.
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.What our students say
FAQs
Who is Elevify? How does it work?
Do the courses have certificates?
Are the courses free?
What is the course workload?
What are the courses like?
How do the courses work?
What is the duration of the courses?
What is the cost or price of the courses?
What is an EAD or online course and how does it work?
PDF Course