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Author

Aditya Sharad Shetkar

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Sep 2026

Large-Scale Atomistic Modeling of Bio-Oils Informed by Multimodal Characterization Data and Molecular Dynamics

Understanding the molecular structure of bio-oil is essential for improving upgrading strategies, predicting physicochemical properties, and designing efficient production pathways. This work introduces an integrated experimental-analytical-modeling framework that translates multimodal characterization data into larg...

Valentina Sierra-Jimenez, Aditya Sharad Shetkar, Wen-Jun Li et al. · 0 citations

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