publications
2025
- Generative active learning across polymer architectures and solvophobicities for targeted rheological behaviornpj Computational Materials, 2025
- Physics-guided neural networks for transferable property prediction in architecturally diverse copolymersMacromolecules, 2025
- Implementing topological data analysis for monitoring mass transfer during vacuum-assisted osmotic dehydration of applesACS Omega, 2025
- Accelerating multicomponent phase-coexistence calculations with physics-informed neural networksMolecular Systems Design & Engineering, 2025
- A digital twin simulator of a pastillation process with applications to automatic control based on computer visionComputers & Chemical Engineering, 2025
2024
- Understanding the interplay between electro-catalytic C(sp3)–C(sp3) fragmentation and oxygenation reactionsNature Catalysis, 2024
- Property-guided generation of complex polymer topologies using variational autoencodersnpj Computational Materials, 2024
- Uncertainty quantification for molecular property predictions with graph neural architecture searchDigital Discovery, 2024
- Robust plastic waste classification using wavelet transform multi-resolution analysis and convolutional neural networksComputers & Chemical Engineering, 2024
2023
- Scalable extraction of information from spatiotemporal patterns of chemoresponsive liquid crystals using topological descriptorsThe Journal of Physical Chemistry C, 2023
- Capturing molecular interactions in graph neural networks: a case study in multi-component phase equilibriumDigital Discovery, 2023
2022
- Online characterization of mixed plastic waste using machine learning and mid-infrared spectroscopyACS Sustainable Chemistry & Engineering, 2022
- Sensing gas mixtures by analyzing the spatiotemporal optical responses of liquid crystals using 3D convolutional neural networksACS Sensors, 2022
2021
- Using ATR-FTIR spectra and convolutional neural networks for characterizing mixed plastic wasteComputers & Chemical Engineering, 2021
- Accurate characterization of mixed plastic waste using machine learning and fast infrared spectroscopyACS Sustainable Chemistry & Engineering, 2021
- Convolutional neural nets in chemical engineering: Foundations, computations, and applicationsAIChE Journal, 2021
- Using machine learning and liquid crystal droplets to identify and quantify endotoxins from different bacterial speciesAnalyst, 2021
2020
- Fast predictions of liquid-phase acid-catalyzed reaction rates using molecular dynamics simulations and convolutional neural networksChemical Science, 2020
2019
- Highly compact, free-standing porous electrodes from polymer-derived nanoporous carbons for efficient electrochemical capacitive deionizationJournal of Materials Chemistry A, 2019
2018
- Scalable synthesis of uniform nanosized microporous carbon particles from rigid polymers for rapid ion and molecule adsorptionACS Applied Materials & Interfaces, 2018
- Understanding the electrochemical properties of naphthalene diimide: implication for stable and high-rate lithium-ion battery electrodesChemistry of Materials, 2018