The MAMABIO project was represented at ICTAC 20!

From 6 to 10 July 2026, the MAMABIO project (Machine Learning Methodology for Accelerated and Predictive Atom-Scale Simulation of the Transformation of Bio-based Molecules), a targeted project under the PEPR B-BEST programme, took part in the 20th International Conference on Theoretical Aspects of Catalysis (ICTAC 20) in Delft (Netherlands).

Céline Chizallet (IFPEN) was invited as a keynote speaker to present findings from the MAMABIO project on reaction mechanisms in industrial catalysts based on Brønsted acidic zeolites.

Another fine achievement: Monika Gesvandtnerova (University of Lorraine / University of Bratislava) received an award for the best oral presentation for her work on zeolite-catalysed isobutanol conversion.

The MAMABIO project was also represented by three posters:

  • Exploration of dynamic methods as an alternative to the hTST approach for the estimation of kinetic constants of alcohol dehydration (Pierre Marmey, IFPEN)
  • Brønsted and Lewis acid sites at the external surface of ferrierite zeolite investigated by DFT and Machine Learning Interatomic Potentials (Emeline Sola, IFPEN)
  • On the conversion of isobutanol to linear butenes over the external (100) surface of ferrierite zeolite using static DFT and MLFF-accelerated MD (Katarina Skladanova, University of Bratislava)

Congratulations to all the teams on this excellent international exposure, which illustrates the quality of the scientific collaborations carried out within the PEPR B-BEST programme.