Publications by authors named "L Sementa"

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Extrapolation Techniques in Database Construction for Machine-Learning Potentials: Achieving Subchemical Accuracy in Sampling Conformal Funnels in Catalytic Processes.
Thantip Roongcharoen, Giorgio Conter, Giacomo Melani, Luca Sementa, Alessandro Fortunelli

J Chem Theory Comput· November 2025

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Ammonia Evolution in Glycine Pyrolysis via Ionic-Pair Reaction Mechanisms.
Jacopo Lupi, Thantip Roongcharoen, Luca Sementa, Francesca Cicogna, Alessandro Nanni

J Am Chem Soc· August 2025

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Revolutionizing Ammonia Synthesis: FeCoNiAlSi High-Entropy Alloy Catalyst for Low-Pressure, Low-Temperature Applications.
Yidi Shen, Luca Sementa, Duane D Johnson, Alessandro Fortunelli, Qi An

J Am Chem Soc· April 2025

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Machine-Learning-Accelerated DFT Conformal Sampling of Catalytic Processes.
Thantip Roongcharoen, Giorgio Conter, Luca Sementa, Giacomo Melani, Alessandro Fortunelli

J Chem Theory Comput· November 2024

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Unraveling the Source of Self-Induced Diastereomeric Anisochronism in Chiral Dipeptides.
Fabio Spiaggia, Federica Aiello, Luca Sementa, Jean-Marc Campagne, Renata Marcia de Figueiredo

Chemistry· October 2024

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