Fabrizio Creazzo

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Lecturer/Postdoc Researcher

University of Zurich

Switzerland

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About

Fabrizio Creazzo is a Lecturer and Postdoc Researcher at the University of Zurich, Switzerland. His research areas focus on advanced computational methods including DFT-Molecular Dynamics simulations, with recent articles addressing topics such as the engineering of monolayers and heterostructures, oxygen evolution kinetics, and the effects of surface wettability. His work also extends to machine learning applications in catalysis and the study of solvent effects in electrochemical processes.

Recent Grants

Grant: Close

Quantum Chemical Reaction Prediction Method Based on Machine Learning & Path-Integral Metadynamics

Open Date: 2023-05-01

Close Date: 2024-01-01

Grant: Close

Hydrogen production and oxygen evolution reaction at the cobalt oxides/liquid water interfaces: a DFT-MD and MetaDynamics atomistic investigation

Open Date: 2016-09-01

Close Date: 2019-09-01

Articles (12)

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2025

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2025

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2024

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2022

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2022

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2022

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2022

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2021

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2021

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2020

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2020

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2020

Collaborators (2)

Kevin Sivula

Professor

École Polytechnique Fédérale de Lausanne

SWITZERLAND

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Sandra Luber

Professor

University of Zurich

SWITZERLAND

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Fabrizio Creazzo

Research Interests

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About

Recent Grants

Articles (12)

Engineering of MoSe2 and WSe2 Monolayers and Heterostructures by DFT-Molecular Dynamics Simulations

DFT-metadynamics insights on the origin of the oxygen evolution kinetics at the (100)-WSe2 surface

Water–air interface revisited by means of path-integral ab initio molecular dynamics

Effects of surface wettability on (001)-WO<sub>3</sub> and (100)-WSe<sub>2</sub>: A spin-polarized DFT-MD study

Closer Look at Inverse Electron Demand Diels–Alder and Nucleophilic Addition Reactions on s-Tetrazines Using Enhanced Sampling Methods

Machine Learning-Assisted Discovery of Hidden States in Expanded Free Energy Space

Two Novel Dinuclear Cobalt Polypyridyl Complexes in Electro- and Photocatalysis for Hydrogen Production: Cooperativity Increases Performance

Explicit solvent effects on (1 1 0) ruthenium oxide surface wettability: Structural, electronic and mechanical properties of rutile RuO<sub>2</sub> by means of spin-polarized DFT-MD

Water-Assisted Chemical Route Towards the Oxygen Evolution Reaction at the Hydrated (110) Ruthenium Oxide Surface: Heterogeneous Catalysis via DFT-MD and Metadynamics Simulations

Enhanced conductivity of water at the electrified air-water interface: A DFT-MD characterization

Enhanced conductivity of water at the electrified air–water interface: a DFT-MD characterization

Ions Tune Interfacial Water Structure and Modulate Hydrophobic Interactions at Silica Surfaces

Collaborators (2)

Kevin Sivula

Sandra Luber

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