Calculation is increasingly replacing experimentation in design of useful functional materials. We use quantum mechanics and atomistic simulations for understanding and control of matter, energy, and information at the microscopic scales of materials science. When combined with machine learning, first-principles materials theory potentially leads to new opportunities for creativity in materials physics.
- Materials by design
- Machine learning
- Physics outside physics
Advisor Professor : Kang, Joongoo
Computational Materials Theory Group Homepage