Jasper De Landsheere

1. Toward On-the-Fly Prediction of Reaction Energetics for High-Throughput Screening
   2026/01/09 by Jasper De Landsheere, Maximilian P.-P. Kovar, Konstantin Mark +5 · 1 voice
   Chemical Engineering · Computer Science · Materials Science · #Catalysis and Oxidation Reactions #Computational Drug Discovery Methods #Machine Learning in Materials Science
2. moTSart: Accelerating Automated Transition State Search with Generative Models in a Low-Data Regime
   2026/04/17 by Leonard Galustian, Johannes Karwounopoulos, Tori Demuth +6 · 1 voice
   Chemistry · Computer Science · Materials Science · #Computational Drug Discovery Methods #Cyclization and Aryne Chemistry #Machine Learning in Materials Science