Simulating electronic transport using QM/MM and adaptive Monte Carlo methods: appl...
Hibrid QM/MM methods applied to electronic transport simulations of graphene: appl...
Exploration of Unique Bi-Dimensional Architectures: Unveiling Structural, Mechanic...
Electronic and vibrational properties of monolayer and multilayer MoS2 subject to ...
Ab initio simulations of electronic transport in disordered nanostructures
Gas sensor ab initio simulation in carbon nanotubes bundles.