Interpretable discovery of new semiconductors with machine learning. - Hitarth Choubisa; Petar Todorovic; Joao M. Pina; Darshan H. Parmar; Ziliang Li; Oleksandr Voznyy; Isaac Tamblyn; Edward H. Sargent (CoRR, 2021)

Strain data augmentation enables machine learning of inorganic crystal geometry optimization. - Filip Dinic; Zhibo Wang 005; Ihor Neporozhnii; Usama Bin Salim; Rochan Bajpai; Navneeth Rajiv; Vedant Chavda; Vishal Radhakrishnan; Oleksandr Voznyy (Patterns, 2023)

Using GNN property predictors as molecule generators. - Félix Therrien; Edward H. Sargent; Oleksandr Voznyy (CoRR, 2024)