First Symposium on Computational Chemistry in Flanders: Computational Design of Drugs and Materials

(Past Event)

This mini-symposium brings together leading researchers in the fields of computational drug discovery and materials science. Through a series of invited talks and poster presentations, participants will explore the latest advances in AI and machine learning in chemistry, molecular simulations, plasma modelling and catalysis. Speakers include experts from KU Leuven, University of Antwerp, Ghent University, CISTIM and industry leaders such as Johnson & Johnson.

Symposium on Computational Chemistry
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Programme

  • 13:00: Welcome
  • 13:30-15:00: Session 1
    • Dr. Sandro Boland – CISTIM / KU Leuven: Use of ML/AI methods for drug discovery: “it’s all about you”
    • Drs. Joep Wals – University of Antwerp: Exploring the binding mechanism of Fibroblast Activation Protein (FAP) inhibitor UAMC-1110 using QM/MM
    • Dr. Edgar Jacoby – Johnson & Johnson: The impact of computational design in the discovery of novel NIK and DHODH inhibitors for the treatment of cancers
  • 15:00-16:00: Poster Session & Coffee Break
  • 16:00-17:30: Session 2
    • Dr. Maria Cecilia Oliveira – University of Antwerp: Molecular Dynamics: A Valuable Tool in Plasma Medicine
    • Prof. Jeremy Harvey – KU Leuven: Machine-learning models of potential energy surfaces as a tool for understanding structure and reactivity
    • Prof. Mark Saeys – Ghent University: Operando Computational Catalysis: Microkinetic models for COx hydrogenation on crowded surfaces

 

Poster Presentations

Researchers are invited to submit poster presentations.

Organisers

  • Prof. Hans De Winter (University of Antwerp)
  • Prof. Frederik Tielens (Vrije Universiteit Brussel)
  • Dr. Christophe De Bie (University of Antwerp / KVCV)

Registration fees

  • KVCV & SRC student members: Free
  • Non-member Bachelor and Master students: €5
  • Non-member PhD students: €15 (includes KVCV membership)
  • KVCV & SRC standard members: €20
  • Non-members: €40

 

 

Details

Date:
12/12/2025
Organiser:
KVCV
Time
13:00 - 17:30
Website:
Programme
Location:
HOEK 38, Brussel, Belgium