Open access
Jul 2026
Accelerating sustainable glass discovery: integrating molecular dynamics, machine learning, and robotic synthesis
The Simulation-Calibrated Active Learning Estimator (SCALE), a closed-loop framework uniting high-throughput molecular dynamics, machine learning, and robotic synthesis to bridge the gap between simulation and experiment, is introduced.
Felix Arendt, T. Waurischk, Stefan Reinsch et al.
· npj Computational Materials · 0 citations