Stefano Leoni's profile

Stefano Leoni

Principal Investigator

Cardiff University

I'm working on

9 months ago

Catalysis and nanomaterials, quantum materials, computational chemistry

About

Research spans catalytic nanomaterials and high-entropy alloys, correlated electron/quantum materials, and molecular simulation. Combines synthesis, electronic-structure theory and data-driven modeling to link structure, dynamics and function for energy conversion, chemical manufacturing and biomedical targets.

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Cardiff University

Computational platform for designing novel herbicides targeting plant G-quadruplex DNA structures

A computational drug-design pipeline that targets G-quadruplex (G4) DNA structures in plants to develop novel herbicides with new modes of action. Uses molecular dynamics and free-energy calculations, validated against c...

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Stefano Leoni

Principal Investigator

Cardiff University

Work experience

Cardiff University

Principal Investigator

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Chemical PhysicsComputational ChemistryInorganic ChemistryMedicinal ChemistryQuantum Chemistry

Last updated Jan 2026