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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Manuel García-Pérez

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2 papers indexed here

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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
Preprint Aug 2026

What makes a useful molecular model of biochar? A community roadmap

Biochars are disordered carbonaceous materials produced by biomass pyrolysis, with applications spanning soil amendment, water remediation, carbon storage, and functional materials. Although they share structural features with other disordered carbons such as coal, kerogen, and activated carbons, the questions posed to...

Valentina Sierra-Jimenez, J. Mathews, L. Bellucci et al. · 0 citations

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