14 citations · 22 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2024★ 8 cited
Neural Network Approach for Predicting Infrared Spectra from 3D Molecular Structure
Saleh Abdul Al, Abdul-Rahman Allouche
Accurately predicting infrared (IR) spectra in computational chemistry using ab initio methods remains a challenge. Current approaches often rely on an empirical approach or on ted…
cond-mat.mtrl-sci2023★ 14 cited
Neural network approach for a rapid prediction of metal-supported borophene properties
Pierre Mignon, Abdul-Rahman Allouche, Neil Richard Innis +1
We develop a high-dimensional neural network potential (NNP) to describe the structural and energetic properties of borophene deposited on silver. This NNP has the accuracy of DFT…