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Nathan Rebello
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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
592019
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
252017
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
242021
Simulate time-integrated coarse-grained molecular dynamics with geometric machine learning
X Fu
Massachusetts Institute of Technology, 2022
232022
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
212021
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
212021
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
192022
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
132022
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
42023
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
22023
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
12023
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
12023
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
12022
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
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