94 citations · 285 across the 7 of their papers we have counts for
7 papers
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…
Phonon-Induced Transparency in Functionalized Single Layer Graphene
Bruno Rousseau, François Lapointe, Minh Nguyen +8
Herein, intervalley scattering is exploited to account for anomalous antiresonances in the infrared spectra of doped and disordered single layer graphene. We present infrared spect…
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…
Anharmonic stabilization of the high-pressure simple cubic phase of calcium
Ion Errea, Bruno Rousseau, Aitor Bergara
The phonon spectrum of the high-pressure simple cubic phase of calcium, in the harmonic approx- imation, shows imaginary branches that make it mechanically unstable. In this letter…
Giant anharmonicity suppresses superconductivity in AlH under pressure
Bruno Rousseau, Aitor Bergara
The anharmonic self energy of two zone boundary phonons were computed to lowest order for AlH in the structure at 110 GPa. The wavevector and branch index correspon…