The Block Copolymer Phase Behavior Database

NJ Rebello, A Arora, H Mochigase, TS Lin… - Journal of Chemical …, 2024 - ACS Publications
The Block Copolymer Database (BCDB) is a platform that allows users to search, submit,
visualize, benchmark, and download experimental phase measurements and their …

Functional monomer design for synthetically accessible polymers

S Kim, CM Schroeder, NE Jackson - Chemical Science, 2025 - pubs.rsc.org
Machine learning (ML) has emerged as a powerful tool to navigate polymer structure–
property relationships. Despite recent progress, data sparsity is a major obstacle hindering …

Quantification of cyclic topology in polymer networks using 3D nets

D Sen, BD Olsen - Physical Review Materials, 2025 - APS
Polymer networks invariably possess topological inhomogeneities in the form of loops and
dangling ends. The macroscopic properties of such materials are directly dependent on the …

MacroSimGNN: Efficient and Accurate Calculation of Macromolecule Pairwise Similarity via Graph Neural Network

J Shi, R Wang, N Rebello, J Lu, B Olsen, D Audus - 2024 - chemrxiv.org
Efficient and accurate calculation of macromolecule pairwise similarity is essential for
develo** database search engines and is useful for machine learning based predictive …