Alessandro Fortunellia

56PUBLICATIONS
124CO-AUTHORS
PyrometallurgyChemical and thermal processes in energy and combustionComputational chemistryTheoretical quantum chemistryCondensed matter characterisation technique development
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Publications (56)

|Sep 08, 2026
An Integrated Spectroscopy-Microkinetic Approach to Identifying Active-Site Distributions in Palladium Single-Atom Catalysts.

|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 via 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

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Frequent Collaborators

16 joint publications

Mauro Stener

13 joint publications

William A Goddard Iii

7 joint publications

Daniele Toffoli

7 joint publications

Qi An