Materials Science from First Principles: Materials Scientist Toolbox

Sorbonne University, 3rd - 7th November 2025

The Materials Science Work Package team of the HANAMI project is pleased to announce a five-day workshop to be held in the Pierre and Marie Curie campus of Sorbonne University (Paris), introducing the main computational tools widely used in materials science, along with their latest developments and applications.

The event is supported by HANAMI and by CECAM-FR-MOSER.

For more information, please visit the workshop website, which includes the agenda and the book of abstracts.

SIESTA Sessions

The first day, Monday 3rd November, will focus on SIESTA.

Introduction to Density Functional Theory

Lectures by Prof. Pablo Ordejón (CSIC and ICN2) [Slides].

Practical sessions with SIESTA

Practical sessions led by Prof. Pablo Ordejón (CSIC and ICN2) and Dr. Anthoni Alcaraz (ICN2) [Slides].

In these sessions, the following SIESTA tutorials will be covered:

• A First Encounter with SIESTA
• The real-space grid
• Sampling of the BZ with k-points
• The self-consistent-field cycle