1.3k citations · 1.5k across the 11 of their papers we have counts for
11 papers
Evidence of temperature-dependent interplay between spin and orbital moment in van der Waals ferromagnet VI3
A. De Vita, R. Sant, V. Polewczyk +7
Van der Waals materials provide a versatile toolbox for the emergence of new quantum phenomena and the fabrication of functional heterostructures. Among them, the trihalide VI3 sta…
Observation of termination-dependent topological connectivity in a magnetic Weyl kagome-lattice
Federico Mazzola, Stefan Enzner, Philipp Eck +20
Engineering surfaces and interfaces of materials promises great potential in the field of heterostructures and quantum matter designer, with the opportunity of driving new many-bod…
Anisotropic hybridization probed by polarization dependent x-ray absorption spectroscopy in VI3 van der Waals Mott ferromagnet
R. Sant, A. De Vita, V. Polewczyk +6
Polarization dependent x-ray absorption spectroscopy was used to study the magnetic ground state and the orbital occupation in bulk-phase VI van der Waals crystals below and ab…
Quantitative Ultrafast Electron-Temperature Dynamics in Photo-Excited Au Nanoparticles
Maria Sygletou, Stefania Benedetti, Marzia Ferrera +11
The femtosecond evolution of the electronic temperature of laser-excited gold nanoparticles is measured, by means of ultrafast time-resolved photoemission spectroscopy induced by e…
Space Charge Free Ultrafast Photoelectron Spectroscopy on Solids by a Narrowband Tunable Extreme Ultraviolet Light Source
Riccardo Cucini, Tommaso Pincelli, Giancarlo Panaccione +17
Here we report on a novel High Harmonic Generation (HHG) light source designed for space charge free ultrafast photoelectron spectroscopy (PES) on solids. The ultimate overall ener…
Building nonparametric -body force fields using Gaussian process regression
Aldo Glielmo, Claudio Zeni, Ádám Fekete +1
Constructing a classical potential suited to simulate a given atomic system is a remarkably difficult task. This chapter presents a framework under which this problem can be tackle…
Building machine learning force fields for nanoclusters
Claudio Zeni, Kevin Rossi, Aldo Glielmo +4
We assess Gaussian process (GP) regression as a technique to model interatomic forces in metal nanoclusters by analysing the performance of 2-body, 3-body and many-body kernel func…
Efficient nonparametric -body force fields from machine learning
Aldo Glielmo, Claudio Zeni, Alessandro De Vita
We provide a definition and explicit expressions for -body Gaussian Process (GP) kernels which can learn any interatomic interaction occurring in a physical system, up to -bo…
Imeall: A Computational Framework for the Calculation of the Atomistic Properties of Grain Boundaries
Henry Lambert, Adam Fekete, James R Kermode +1
We describe the \texttt{Imeall} package for the calculation and indexing of atomistic properties of grain boundaries in materials. The package provides a structured database for th…
Thermal Contraction and Disordering of the Al(110) Surface
Nicola Marzari, David Vanderbilt, Alessandro De Vita +1
Al(110) has been studied for temperatures up to 900 K via ensemble density-functional molecular dynamics. The strong anharmonicity displayed by this surface results in a negative c…
Amorphous indium phosphide from first principles
Laurent J. Lewis, Alessandro De Vita, Roberto Car
We report detailed and extensive first-principles molecular-dynamics (MD) simulations of the structure and electronic properties of amorphous InP produced by rapid quenching from t…