Influence of counterion structure on conductivity of polymerized ionic liquids JR Keith, NJ Rebello, BJ Cowen, V Ganesan ACS Macro Letters 8 (4), 387-392, 2019 | 59 | 2019 |
Effect of Grafting Density of Random Copolymer Brushes on Perpendicular Alignment in PS-b-PMMA Thin Films W Lee, S Park, Y Kim, V Sethuraman, N Rebello, V Ganesan, DY Ryu Macromolecules 50 (15), 5858-5866, 2017 | 25 | 2017 |
PolyDAT: a generic data schema for polymer characterization TS Lin, NJ Rebello, HK Beech, Z Wang, B El-Zaatari, DJ Lundberg, ... Journal of Chemical Information and Modeling 61 (3), 1150-1163, 2021 | 24 | 2021 |
Simulate time-integrated coarse-grained molecular dynamics with geometric machine learning X Fu Massachusetts Institute of Technology, 2022 | 23 | 2022 |
Random forest predictor for diblock copolymer phase behavior A Arora, TS Lin, NJ Rebello, SHM Av-Ron, H Mochigase, BD Olsen ACS Macro Letters 10 (11), 1339-1345, 2021 | 21 | 2021 |
Adding the effect of topological defects to the Flory–Rehner and Bray–Merrill swelling theories NJ Rebello, HK Beech, BD Olsen ACS Macro Letters 10 (5), 531-537, 2021 | 21 | 2021 |
Canonicalizing bigsmiles for polymers with defined backbones TS Lin, NJ Rebello, GH Lee, MA Morris, BD Olsen ACS polymers Au 2 (6), 486-500, 2022 | 19 | 2022 |
Extending BigSMILES to non-covalent bonds in supramolecular polymer assemblies W Zou, AM Monterroza, Y Yao, SC Millik, MM Cencer, NJ Rebello, ... Chemical Science 13 (41), 12045-12055, 2022 | 13 | 2022 |
Simulate time-integrated coarse-grained molecular dynamics with multi-scale graph networks X Fu, T Xie, NJ Rebello, B Olsen, TS Jaakkola Transactions on Machine Learning Research, 2023 | 4 | 2023 |
Quantifying Pairwise Similarity for Complex Polymers J Shi, NJ Rebello, D Walsh, W Zou, ME Deagen, BS Leao, DJ Audus, ... Macromolecules 56 (18), 7344-7357, 2023 | 2 | 2023 |
Machine Translation between BigSMILES Line Notation and Chemical Structure Diagrams ME Deagen, B Dalle-Cort, NJ Rebello, TS Lin, DJ Walsh, BD Olsen Macromolecules 57 (1), 42-53, 2023 | 1 | 2023 |
BigSMARTS: A Topologically Aware Query Language and Substructure Search Algorithm for Polymer Chemical Structures NJ Rebello, TS Lin, H Nazeer, BD Olsen Journal of Chemical Information and Modeling 63 (21), 6555-6568, 2023 | 1 | 2023 |
Multiscale Modeling and Characterization of Radical-Initiated Modification of Molten Polyolefins W Zou, A Tupper, NJ Rebello, DS Ranasinghe, WH Green, C Couch, ... Macromolecules 55 (14), 5901-5915, 2022 | 1 | 2022 |
Quantifying Similarity between Polymer Ensembles D Audus, J Shi, D Walsh, W Zou, N Rebello, M Deagen, K Fransen, X Gao, ... Bulletin of the American Physical Society, 2024 | | 2024 |
Calculating Pairwise Similarity of Polymer Ensembles via Earth Mover’s Distance J Shi, D Walsh, W Zou, NJ Rebello, ME Deagen, KA Fransen, X Gao, ... ACS Polymers Au 4 (1), 66-76, 2024 | | 2024 |
Quantifying Pairwise Chemical Similarity of Polymers J Shi, N Rebello, D Walsh, W Zou, M Deagen, D Audus, B Olsen APS March Meeting Abstracts 2023, T03. 007, 2023 | | 2023 |
Canonicalizing BigSMILES for Polymer Informatics Using Chemical Intuition and State Machines N Rebello, TS Lin, GH Lee, M Morris, B Olsen APS March Meeting Abstracts 2023, T03. 008, 2023 | | 2023 |
Learning to Simulate Time-averaged Coarse-grained Molecular Dynamics with Geometric Machine Learning X Fu, T Xie, N Rebello, B Olsen, T Jaakkola APS March Meeting Abstracts 2022, Q46. 004, 2022 | | 2022 |
A Multiscale Pipeline for Polymer Network Design and Mechanical Property Prediction with Reaction Detection N Rebello, TS Lin, B Olsen 2021 AIChE Annual Meeting, 2021 | | 2021 |
A Stochastic Chemical Search Grammar for Macromolecules N Rebello, TS Lin, B Olsen 2021 AIChE Annual Meeting, 2021 | | 2021 |