Jacobus Dijkman @jdijkman.bsky.social · 13/02/2025Scientists traditionally rely on computer simulations to understand molecular-level behavior of liquids and gases. However, these simulations can be incredibly time-consuming. ⏳ 100
Jacobus Dijkman @jdijkman.bsky.social · 13/02/2025We developed a novel ML approach that rapidly predicts molecular behavior—without running lengthy simulations. 🏎️ 100
Jacobus Dijkman @jdijkman.bsky.social · 13/02/2025The key insight: our model learns by observing molecular interactions in simple uniform bulk systems. Once it grasps these patterns, it can predict behavior in complex environments like pores—despite never encountering non-uniform conditions during training. 100
