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Alessandro Fortunelli

Research Director

Consiglio Nazionale delle Ricerche

Italy

Research Interests

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Professors in Italy Professors in Catalysis Catalysis professors in Italy

Articles (20)

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2026

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2024

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2024

Collaborators (12)

Yang Hu

Associate Professor, Villum Young Investigator, Group leader

Technical University of Denmark

DENMARK

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Maurizio Cossi

Associate Professor

Università degli Studi del Piemonte Orientale

ITALY

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William Goddard

charles and mary Ferkel professor chemistry, materials science, and applied physics

California Institute of Technology

UNITED STATES

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Leonardo Marchese

Professore Ordinario

Università degli Studi del Piemonte Orientale Amedeo Avogadro

ITALY

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Mauro Stener

Professore Ordinario di chimica fisica

Università degli Studi di Torino

ITALY

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Piotr Zuchowski

assistant professor

POLAND

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Lorenzo Cupellini

Assistant Professor (Senior - Tenure Track)

University of Pisa

ITALY

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Noureddine Raouafi

Research Professor

imam abdulrahman bin faisal university

SAUDI ARABIA

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Nicolò Maccaferri

Associate Professor

Umea University

SWEDEN

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David J. Wales

University of Cambridge

UNITED KINGDOM

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Ciro Achille Guido

Associate Professor

Università degli Studi del Piemonte Orientale

ITALY

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Chiara Cappelli

Associate Professor

ITALY

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Alessandro Fortunelli

Research Interests

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Articles (20)

An Integrated Spectroscopy–Microkinetic Approach to Identifying Active‐Site Distributions in Palladium Single‐Atom Catalysts

Electric Field Enhancements and Hot Spots in Amorphous Carbon Materials

The Electrodynamical Nature of Chiral Nanoplasmonics from the Quantum Regime to the Mesoscale

Comparison of predictive approaches to the dynamics of activated catalytic processes

AI agents as co-designers of catalysts: a paradigm shift for designing Cu-based single-atom alloy catalysts in CO<sub>2</sub> electroreduction

Cover Feature: In Search of Structure’ Links Across Length Scales: Crossover Among Structural Motifs, Energetics, and Magic Systems in Subnanometer Transition Metals Clusters (Small Struct. 1/2026)

Carbon dioxide hydrogenation on copper and nickel catalysts via a conformal sampling approach

Impact of artificial intelligence on heterogeneous catalysis: general discussion

In Search of Structure’ Links Across Length Scales: Crossover Among Structural Motifs, Energetics, and Magic Systems in Subnanometer Transition Metals Clusters

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

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

Extrapolation Techniques in Database Construction for Machine-Learning Potentials: Achieving Subchemical Accuracy in Sampling Conformal Funnels in Catalytic Processes

Machine-Learning-Accelerated Conformal Sampling of Methanol Catalytic Conversion on Bimetallic Systems

The Role of Nitrogen on Industrially Important ZnO/Cu Catalysts for Conversion of CO2 to Methanol

Ammonia Evolution in Glycine Pyrolysis via Ionic-Pair Reaction Mechanisms

Revolutionizing Ammonia Synthesis: FeCoNiAlSi High-Entropy Alloy Catalyst for Low-Pressure, Low-Temperature Applications

Mechanistic Investigation of Methanol Aqueous-Phase Reforming via Water Dissociation over Pt and Pt–Mn Catalysts: A Density Functional Theory Insight

Functionalized Amorphous Carbon Materials via Reactive Molecular Dynamics Simulations

Covalent surface modification of single-layer graphene-like BC6N nanosheets with reactive nitrenes for selective ammonia sensing via DFT modeling

Machine-Learning-Accelerated DFT Conformal Sampling of Catalytic Processes

Collaborators (12)

Yang Hu

Maurizio Cossi

William Goddard

Leonardo Marchese

Mauro Stener

Piotr Zuchowski

Lorenzo Cupellini

Noureddine Raouafi

Nicolò Maccaferri

David J. Wales

Ciro Achille Guido

Chiara Cappelli

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