Who should attend?
Both, people working in academia and industry.
What will you learn and how?
Principles of Density Functional Theory calculations and how to use them for properties of molecules.
Learning outcomes
Knowing for what systems Density Functional Theory calculations could be beneficial and how to perform the calculations.
Prerequisites
Basic knowledge of quantum mechanics and Hartree-Fock Theory (training of the 2nd of September), basic knowledge of python and bash scripting.
Content and Agenda
Session 1 : Small summary/introduction of electronic structure methods and why they are important in industry, (following up the training of the 2nd of September 2025)
Session 2 : Theory of Density Functional Theory
Session 3 : Exercises
This course will be hosted online in Central European Time (CET) on October 20, 2025 (9:00 AM – 5:00 PM CET).
Schedule
09:00 AM – 10:30 AM: Session 1 and beginning of session 2
10:30 AM – 12:00 AM: Session 2
12:00 AM – 2:00 PM: Lunch
2:00 PM – 5:00 PM: Session 3
Important: Limited spots available (30 participants max)!
Registration will close a week before the training date, on the 26 August.
Contact person for more information
Ariadni Boziki – ariadni.boziki[at]uni.lu
