Artificial Intelligence Applied to Electronic and Dynamic Simulations of Nanomater...
Computational study of the interactions of surfactant molecules with gold nanostru...
Improving the understanding of unsteady aerodynamic flows via high-fidelity simula...
Crystal growth dynamics in supercooled liquids probed by molecular dynamics
CINE: computational materials design based on atomistic simulations, meso-scale, m...
Molecular dynamics and machine learning in the analysis of the impact of key resid...