03/10/2025

MeluXina: Electronic structure methods (Hartree-Fock) used in industry from pharmaceuticals materials and beyond

The Luxembourg SuperComputing Competence Center is hosting this webinar.

For whom? 

Both, people working in academia and industry.

What will you learn and how? 

Principles of Hartree-Fock simulations and how to use them for properties of molecules.


Learning outcomes 

Knowing how to perform Hartree-Fock calculations. 

Prerequisites

A basic understanding of the principles of quantum chemistry is sufficient; the course is designed to be accessible even to those starting from scratch.

Agenda

Session 1 : Introduction of electronic structure methods and why they are important in industry

Session 2 : Theory of Hartree Fock method 

Session 3 : Exercises 

This course will be hosted online in Central European Time (CET) on October 3, 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 September. 
 

Contact person for more information: 

Ariadni Boziki – ariadni.boziki[at]uni.lu



03/10/2025