54 citations · 54 across the 1 of their papers we have counts for
3 papers
Combining quantum mechanics and machine-learning calculations for anharmonic corrections to vibrational frequencies
Julien Lam, Saleh Abdul-Al, Abdul-Rahman Allouche
Several methods are available to compute the anharmonicity in semi-rigid molecules. However, such methods are not routinely employed yet because of their large computational cost,…
Comparison of aluminum oxide empirical potentials from cluster to nanoparticle
Gaétan Laurens, David Amans, Julien Lam +1
Aluminum oxide nanoparticles are increasingly sought in numerous technological applications. However, as the nanoparticles grow during the synthesis, two phase transitions occur. A…
Atomistic Mechanisms for the Nucleation of Aluminium Oxide Nanoparticles
Julien Lam, David Amans, Christophe Dujardin +2
A predictive model for nanoparticle nucleation has not yet been successfully achieved. Classical nucleation theory fails because the atomistic nature of the seed has to be consider…