Structural, Electronic and Transport Properties of Graphyne and Graphdiyne-bases N...
Native defects and amorphous driven properties in 2D materials
Hibrid QM/MM methods applied to electronic transport simulations of graphene: appl...
Computational simulation of redox processes in complex environments
Exploration of Unique Bi-Dimensional Architectures: Unveiling Structural, Mechanic...
Exploration of Unique Bi-Dimensional Architectures: Unveiling Structural, Mechanic...
Ab initio simulations of electronic transport in disordered nanostructures