Inverse Design of Potential Singlet Fission Molecules using a Transfer Learning Based Approach. - Akshay Subramanian; Utkarsh Saha; Tejasvini Sharma; Naveen K. Tailor; Soumitra Satapathi (CoRR, 2020)

COVIDScholar: An automated COVID-19 research aggregation and analysis platform. - Amalie Trewartha; John Dagdelen; Haoyan Huo; Kevin Cruse; Zheren Wang; Tanjin He; Akshay Subramanian; Yuxing Fei; Benjamin Justus; Kristin A. Persson; Gerbrand Ceder (CoRR, 2020)

Automated patent extraction powers generative modeling in focused chemical spaces. - Akshay Subramanian; Kevin P. Greenman; Alexis Gervaix; Tzuhsiung Yang; Rafael Gómez-Bombarelli (CoRR, 2023)

Efficient Generation of Molecular Clusters with Dual-Scale Equivariant Flow Matching. - Akshay Subramanian; Shuhui Qu; Cheol Woo Park; Sulin Liu; Janghwan Lee; Rafael Gómez-Bombarelli (CoRR, 2024)

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)