51 citations · 72 across the 4 of their papers we have counts for
4 papers
Surface Enhanced Infrared Absorption mechanism and modification of the plasmonic response
Tanguy Colleu, Adam Fekete, Xavier Gonze +4
Surface Enhanced Infrared Absorption (SEIRA) is an experimental method where trace amount of a compound can be detected with high sensibility. This high detection sensibility is th…
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…
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…