Invited talk

GOLLUM: an efficient tool for ab-initio molecular electronics with non-trivial examples

Jaime Ferrer^1,2

¹Faculta de Ciencias, Univerdad de Oviedo, 33007 Oviedo, Spain

²Research Centre on Nanomaterials and Nanotechnology - CINN

I will present in the first part of this talk the transport code GOLLUM, describing some of its non-trivial functionalities with specific examples. The second part of the talk will be used to describe simulations of the self-assembly of iso-cyano functionalized molecules in the presence of gold electrodes.