We are excited to invite you to 3C Summer School Vol. 3!
The Computational Chemistry Crete Summer School focuses on the advanced computational modeling of Metal–Organic Frameworks (MOFs) and related porous materials.
The program is primarily targeted at students interested in gaining practical experience in:
🔹 Ab-initio methods
🔹 Grand Canonical Monte Carlo simulations
🔹 Molecular Dynamics
🔹 Modern applications of Artificial Intelligence and Machine Learning
🎯 Objective
The objective of the school is to bridge theory and practice through a combination of lectures and hands-on training, with a strong focus on modern computational methods used in both research and industry.
The summer school is organized into four main thematic modules. Each section below contains tutorials and hands-on materials.
Electronic structure methods and first-principles simulations of materials.
Atomistic simulations of dynamic processes in materials and molecular systems.
Statistical mechanics approaches for adsorption in porous materials.
Data-driven methods and AI approaches for materials modeling and prediction.
Each folder corresponds to a lecture track and contains:
- 💻 Hands-on tutorials
- ⚙️ Software installation and setup instructions
- 🧪 Example scripts and exercises
We recommend exploring the tracks based on your interests or following them sequentially if you are new to the field.
Choose a topic above and begin your journey into computational materials science.