Topics

ASESMA focuses on theory and computational methods for predicting and understanding properties of materials through calculations at the fundamental level of electronic structure. 

The School covers introductory concepts such as: electronic structure theory, density functional theory and functionals, phonons, mag- netism, enhanced sampling methods in molecular dynamics, ab-initio molecular dynamics, etc. 

The School also covers more advanced topics and applications of these methods to the structural, mechanical and optical properties of materials, and to the properties of biological systems.

The School devotes attention to the increasingly important fields of machine learning and quantum computing.

The School will include hands-on tutorial sessions based on public license codes.