94 citations · 285 across the 7 of their papers we have counts for
3 papers · 1 filter
Large Scale Raman Spectrum Calculations in Defective 2D Materials using Deep Learning
Olivier Malenfant-Thuot, Dounia Shaaban Kabakibo, Simon Blackburn +2
We introduce a machine learning prediction workflow to study the impact of defects on the Raman response of 2D materials. By combining the use of machine-learned interatomic potent…
Efficient dielectric matrix calculations using the Lanczos algorithm for fast many-body implementations
Jonathan Laflamme Janssen, Bruno Rousseau, Michel Côté
We present a implementation that assesses the two major bottlenecks of traditional plane-waves implementations, the summations over conduction states and the inversion of…
Ab-initio analysis of plasmon dispersion in sodium under pressure
J. Ibañez-Azpiroz, B. Rousseau, A. Eiguren +1
We present an ab-initio study of the electronic response function of sodium in its 5 known metallic phases from 0 to 180 GPa at room temperature. The considered formalism is based…