activity
20102025
most citedThermal transport in nanocrystalline graphene investigated by approach-to-equilibrium molecular dynamics simulations

45 citations · 142 across the 15 of their papers we have counts for

collaborators
Showing 2010Show all

2 papers · 1 filter

cond-mat.mtrl-sci2010

Atomistic investigation of the poly(3-hexylthiophene) adhesion on nanostructured titania

Claudio Melis, Alessandro Mattoni, Luciano Colombo

We study the adhesion of poly(3-hexylthiophene) on nanostructured titania surface in vacuo by means of model potential molecular dynamics. We generate large scale atomistic models…

cond-mat.soft2010

Self assembling of Poly(3-hexylthiophene) (P3HT)

Claudio Melis, Alessandro Mattoni, Luciano Colombo

We study the assembling of P3HT chains in vacuo by means of a combination of first principles density functional theory and model potential molecular dynamics. We find that, in the…