Symmetry-Constrained Generation of Diverse Low-Bandgap Molecules with Monte Carlo Tree Search. - Akshay Subramanian; James K. Damewood; Juno Nam; Kevin P. Greenman; Avni P. Singhal; Rafael Gómez-Bombarelli (CoRR, 2024)

Transferable Learning of Reaction Pathways from Geometric Priors. - Juno Nam; Miguel Steiner; Max Misterka; Soojung Yang; Avni P. Singhal; Rafael Gómez-Bombarelli (CoRR, 2025)