2 papers
cond-mat.mtrl-sci2024
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…
cond-mat.mes-hall2021
Electronic Response Quantities of Solids and Deep Learning
Kevin Ryczko, Olivier Malenfant-Thuot, Michel Côté +1
We introduce a deep neural network (DNN) framework called the \textbf{r}eal-space \textbf{a}tomic \textbf{d}ecomposition \textbf{net}work (\textsc{radnet}), which is capable of mak…