Welcome to the official GitHub repository of the MSSC2025 (Ab Initio Modelling in Solid State Chemistry) summer school! This repository contains all the necessary files, scripts, and resources that will be used during the tutorial sessions. MSSC2025 will be held in Torino, Italy in September, and it is designed to provide participants with hands-on experience in the field of solid-state chemistry modeling.
The MSSC summer school is an annual event that focuses on the application of quantum-mechanical methods to the study of materials science. Topics include:
- Basics of solid-state physics
- Density-functional theory
- Electronic structure of materials
- Use of local basis sets
- Spin-orbit coupling and magnetism
- Elasticity
- Lattice dynamics, vibrational spectroscopy (IR and Raman), thermodynamics
- Transport properties
- Electron density analysis
- Parallel computing and response properties
🔗 For more information, visit the official MSSC2025 webpage
- Hands-On Kickoff
- One-Electron Properties
- QTAIM
- Elastic Properties
- Equation of State
- Electron Transport Properties
- Vibrational Spectra
- Phonon Dispersion
If you have any questions or need assistance, feel free to contact the tutors maintaining this repository:
- giacomo.ambrogio@unito.it (KickOff Hands-On, Phonon Dispersion and Thermodynamics)
- eleonora.ascrizzi@unito.it (Electron Transport Properties)
- filippo.bodo@unito.it (Equation of State and Mechanical Properties)
- laura.bonometti@unito.it (One-Electron Properties)
- jacqueskontak.desmarais@unito.it (Spin-Orbit Coupling and Non-Collinear DFT)
- lorenzo.dona@unito.it (Dispersion Corrections and Composite Methods)
- davide.mitoli@unito.it (GitHub repository, KickOff Hands-On, (An)Harmonic Frequency Calculations)
- chiara.ribaldone@unito.it (Spin and Response Properties CPHF/KS)
- marcos.riveraalmazo@unito.it (QTAIM)