Alessandro Fortunellia

53PUBLICATIONS

104CO-AUTHORS

Chemical and thermal processes in energy and combustionComputational chemistryTheoretical quantum chemistryCondensed matter characterisation technique developmentHydrometallurgy

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Publications (53)

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|May 14, 2026

Comparison of predictive approaches to the dynamics of activated catalytic processes.

|Apr 29, 2026

Carbon dioxide hydrogenation on copper and nickel catalysts <i>via</i> a conformal sampling approach.

|Nov 12, 2025

Accurate Simulations of Water and Aqueous Solutions through Fine-Tuned Dispersion-Corrected Density Functional Theory and Machine-Learning Interatomic Potentials.

Alfonso Ferretti, Giacomo Melani, Luca Benedetti

|Aug 15, 2025

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

|Aug 04, 2025

Porosity Local Analysis (PoLA): A New Approach to Describe the Porous Volume Distribution in Amorphous Carbons.

Alberto Zoccante, Maddalena D'Amore, Ciro Achille Guido

|Jul 28, 2025

Ammonia Evolution in Glycine Pyrolysis via Ionic-Pair Reaction Mechanisms.

Jacopo Lupi, Thantip Roongcharoen, Luca Sementa

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Frequent Collaborators

15 joint publications

Mauro Stener

13 joint publications

William A Goddard Iii

Daniele Toffoli

Qi An

Luca Sementa

Giovanni Barcaro

Stefan Vajda

Christian Kuttner

Amala Dass

Pinkie Ntola

Frequent Collaborators

15 joint publications

Mauro Stener

13 joint publications

William A Goddard Iii

7 joint publications

Daniele Toffoli

7 joint publications

Qi An