Dario Alfe`

Professore di Fisica della Materia

Italy

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Articles (15)

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2024

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2024

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2024

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2024

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2023

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2023

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2023

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2022

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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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2021

Collaborators (15)

Ueli Heiz

Technical University of Munich

GERMANY

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Luca Bignardi

Junior Assistant Professor

Università degli Studi di Torino

ITALY

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Shunzhou Wan

University College London

UNITED KINGDOM

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Daniel Lizzit

assistant professor

Università degli Studi di Udine Polo Scientifico Ingegneria e Architettura

ITALY

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Andrew Walker

University of Oxford

UNITED KINGDOM

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Andrea Zen

Università degli Studi di Napoli Federico II

ITALY

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Aras Kartouzian

Ludwig-Maximilians-Universität München

GERMANY

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Alessandro BARALDI

Full Professor

University of Trieste

ITALY

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Alfred Wilson

University of Leeds

UNITED KINGDOM

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Christopher J. Davies

UNITED KINGDOM

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Andreas Grüneis

TU Wien

AUSTRIA

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Monica Pozzo

University College London

UNITED KINGDOM

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Svetlana Kilina

North Dakota State University

UNITED STATES

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Angelos Michaelides

University College London

UNITED KINGDOM

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Davide Curcio

Assistant Professor

Aarhus University

DENMARK

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Dario Alfe`

Research Interests

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Articles (15)

Unveiling Inequality of Atoms in Ultrasmall Pt Clusters: Oxygen Adsorption Limited to the Uppermost Atomic Layer

How Accurate Are Simulations and Experiments for the Lattice Energies of Molecular Crystals?

Beyond Single-Reference Fixed-Node Approximation in Ab Initio Diffusion Monte Carlo Using Antisymmetrized Geminal Power Applied to Systems with Hundreds of Electrons

Signature of low-dimensional quasi-F centers in zirconium-rich electrides

Interplay among Hydrogen Chemisorption, Intercalation, and Bulk Diffusion at the Graphene-Covered Ni(111) Crystal

Mechanisms of adsorbing hydrogen gas on metal decorated graphene

Unraveling H2 chemisorption and physisorption on metal decorated graphene using quantum Monte Carlo

Oxidation at the sub-nanoscale: oxygen adsorption on graphene-supported size-selected Ag clusters

Beyond GGA total energies for solids and surfaces

DMC-ICE13: Ambient and high pressure polymorphs of ice from diffusion Monte Carlo and density functional theory

B1−B2 phase transition of ferropericlase at planetary interior conditions

Thermodynamic and structural insights into the repurposing of drugs that bind to SARS-CoV-2 main protease

Unusual reversibility in molecular break-up of PAHs: the case of pentacene dehydrogenation on Ir(111)

Probing the nucleation of iron in Earth's core using molecular dynamics simulations of supercooled liquids

Enhancing the Accuracy of Ab Initio Molecular Dynamics by Fine Tuning of Effective Two-Body Interactions: Acetonitrile as a Test Case

Collaborators (15)

Ueli Heiz

Luca Bignardi

Shunzhou Wan

Daniel Lizzit

Andrew Walker

Andrea Zen

Aras Kartouzian

Alessandro BARALDI

Alfred Wilson

Christopher J. Davies

Andreas Grüneis

Monica Pozzo

Svetlana Kilina

Angelos Michaelides

Davide Curcio

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