PolyDAT: A Generic Data Schema for Polymer Characterization. - Tzyy-Shyang Lin; Nathan J. Rebello; Haley K. Beech; Zi Wang; Bassil El-Zaatari; David J. Lundberg; Jeremiah A. Johnson; Julia A. Kalow; Stephen L. Craig; Bradley D. Olsen (J. Chem. Inf. Model., 2021)

Enabling AI Innovation via Data and Model Sharing: An Overview of the Nsf Convergence Accelerator Track D. - Chaitanya K. Baru; Michael Pozmantier; Ilkay Altintas; Stephen Baek; Jonathan Cohen 003; Laura E. Condon; Giulia Fanti; Raul Castro Fernandez; Ethan Jackson; Upmanu Lall; Bennett A. Landman; Hai Li 001; et al. (AI Mag., 2022)

Simulate Time-integrated Coarse-grained Molecular Dynamics with Geometric Machine Learning. - Xiang Fu 005; Tian Xie 002; Nathan J. Rebello; Bradley D. Olsen; Tommi S. Jaakkola (CoRR, 2022)

Simulate Time-integrated Coarse-grained Molecular Dynamics with Multi-scale Graph Networks. - Xiang Fu 005; Tian Xie 002; Nathan J. Rebello; Bradley D. Olsen; Tommi S. Jaakkola (Trans. Mach. Learn. Res., 2023)

BigSMARTS: A Topologically Aware Query Language and Substructure Search Algorithm for Polymer Chemical Structures. - Nathan J. Rebello; Tzyy-Shyang Lin; Heeba Nazeer; Bradley D. Olsen (J. Chem. Inf. Model., 2023)

The Block Copolymer Phase Behavior Database. - Nathan J. Rebello; Akash Arora; Hidenobu Mochigase; Tzyy-Shyang Lin; Jiale Shi; Debra J. Audus; Eric S. Muckley; Ardiana Osmani; Bradley D. Olsen (J. Chem. Inf. Model., 2024)