openalexnpj Computational Materials2026-07-24
Accelerating sustainable glass discovery: integrating molecular dynamics, machine learning, and robotic synthesis
Felix Arendt, Tina Waurischk, Stefan Reinsch, Andrea S. S. de Camargo, Marek Sierka
Abstract Discovering sustainable glass compositions demands navigating vast chemical spaces—a challenge that conventional experimentation cannot meet efficiently. Here we introduce the Simulation-Calibrated Active Learning Estimator (SCALE), a closed-loop framework uniting high-t…