FINETUNA: Fine-tuning Accelerated Molecular Simulations

no code implementations • 2 May 2022 • Joseph Musielewicz, Xiaoxiao Wang, Tian Tian, Zachary Ulissi

Finally, we demonstrate a technique for leveraging the interactive functionality built in to VASP to efficiently compute single point calculations within our online active learning framework without the significant startup costs.

Active Learning Transfer Learning