Dario Alfè (D Alfè, Dario Alfé)

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2022
Publications (10 Years): 11

Top Venues

The Journal of chemical physics

The journal of physical chemistry. C, Nanomaterials and interfaces

Chemical science

Molecular systems design & engineering

Università degli Studi di Napoli Federico II Dipartimento di Fisica

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Università degli Studi di Napoli Federico II Dipartimento di Fisica Dec 28o 2018

Italy

Professore di Fisica della Materia

Publications

Andrea Zen, Andreas Grüneis, Dario Alfè, Mariana Rossi
Beyond GGA total energies for solids and surfaces. The Journal of chemical physics 157 (5) (2022)
Nuno Barbosa, Marco Pagliai, Sourab Sinha, Vincenzo Barone, Dario Alfè, Giuseppe Brancato
Enhancing the Accuracy of Ab Initio Molecular Dynamics by Fine Tuning of Effective Two-Body Interactions: Acetonitrile as a Test Case. The journal of physical chemistry. A 125 (48) (2021)
Shunzhou Wan, Agastya P Bhati, Alexander D Wade, Dario Alfè, Peter V Coveney
Thermodynamic and structural insights into the repurposing of drugs that bind to SARS-CoV-2 main protease. Molecular systems design & engineering 7 (2) (2021)
Luca Sbuelz, Federico Loi, Monica Pozzo, Luca Bignardi, Eugenio Nicolini, Paolo Lacovig, Ezequiel Tosi, Silvano Lizzit, Aras Kartouzian, Ulrich Heiz, Dario Alfè, Alessandro Baraldi
Atomic Undercoordination in Ag Islands on Ru(0001) Grown via Size-Selected Cluster Deposition: An Experimental and Theoretical High-Resolution Core-Level Photoemission Study. The journal of physical chemistry. C, Nanomaterials and interfaces 125 (17) (2021)
L V Pourovskii, J Mravlje, Monica Pozzo, Dario Alfè
Electronic correlations and transport in iron at Earth's core conditions. Nature communications 11 (1) (2020)
Davide Curcio, Emil Sierda, Monica Pozzo, Luca Bignardi, Luca Sbuelz, Paolo Lacovig, Silvano Lizzit, Dario Alfè, Alessandro Baraldi
Unusual reversibility in molecular break-up of PAHs: the case of pentacene dehydrogenation on Ir(111). Chemical science 12 (1) (2020)
Jan Gerit Brandenburg, Andrea Zen, Dario Alfè, Angelos Michaelides
Interaction between water and carbon nanostructures: How good are current density functional approximations? The Journal of chemical physics 151 (16) (2019)
Andrea Zen, Jan Gerit Brandenburg, Angelos Michaelides, Dario Alfè
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias. The Journal of chemical physics 151 (13) (2019)
Francesco Presel, Alfonso Gijón, Eduardo R Hernández, Paolo Lacovig, Silvano Lizzit, Dario Alfè, Alessandro Baraldi
Translucency of Graphene to van der Waals Forces Applies to Atoms/Molecules with Different Polar Character. ACS nano 13 (10) (2019)
Yasmine S Al-Hamdani, Mariana Rossi, Dario Alfè, Theodoros Tsatsoulis, Benjamin Ramberger, Jan Gerit Brandenburg, Andrea Zen, Georg Kresse, Andreas Grüneis, Alexandre Tkatchenko, Angelos Michaelides
Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy. The Journal of chemical physics 147 (4) (2018)
Theodoros Tsatsoulis, Felix Hummel, Denis Usvyat, Martin Schütz, George H Booth, Simon S Binnie, Michael J Gillan, Dario Alfè, Angelos Michaelides, Andreas Grüneis
A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface. The Journal of chemical physics 146 (20) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Dario Alfè (D Alfè, Dario Alfé)