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The Luxembourg SuperComputing Competence Center is hosting an online introduction to GPU programming with an OpenACC programming course for half a day.
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
