Simulating materials with python
2025-11-23 , Breakout Room

Join me for a talk about using python to simulate nanometers of materials. Let's discover their mechanical, electrical, optical and thermal properties - only through simulation.


We will cover:
- What techniques must be used to go "ab initio", to start at quantum mechanics and go upwards.
- What are the basic tools available to the python developer now?
- Where will the future of materials design go? Crystal structure diffusion models, GPU accelerated density functional theory and inverse materials design.


What is the anticipated audience for your presentation?:

Advanced