From the 1 of 6 linked papers with an AI index.
29.3k citations · 37k across the 5 of their papers we have counts for
6 papers
Benchmarking Machine Learning Approaches for Polarization Mapping in Ferroelectrics Using 4D-STEM
Matej Martinc, Goran Dražič, Anton Kokalj +5
Four-dimensional scanning transmission electron microscopy (4D-STEM) provides rich, atomic-scale insights into materials structures. However, extracting specific physical propertie…
Surprising lateral interactions between negatively charged adatoms on metal surfaces
Matic Poberžnik, Anton Kokalj
Even something as conceptually simple as adsorption of electronegative adatoms on metal surfaces, where repulsive lateral interactions are expected for obvious reasons, can lead to…
Advanced capabilities for materials modelling with Quantum ESPRESSO
P. Giannozzi, O. Andreussi, T. Brumme +47
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-…
Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
P. Giannozzi, S. Baroni, N. Bonini +30
Quantum ESPRESSO is an open‑source software suite for performing density‑functional theory calculations of electronic structure and materials properties using plane‑wave and pseudo…
Structure and dynamics of oxygen adsorbed on Ag(100) vicinal surfaces
N. Bonini, A. Kokalj, A. Dal Corso +2
The structure and dynamics of atomic oxygen adsorbed on Ag(410) and Ag(210) surfaces have been investigated using density functional theory. Our results show that the adsorption co…
On-surface and Subsurface Adsorption of Oxygen on Stepped Ag(210) and Ag(410) Surfaces
A. Kokalj, N. Bonini, A. Dal Corso +2
The adsorption of atomic oxygen and its inclusion into subsurface sites on Ag(210) and Ag(410) surfaces have been investigated using density functional theory. We find that--in the…