“…In the past, most theoretical work in the field of quantum transport simulations focused on the properties of single selected CNTs, like it was done for vacancies [Bie05,Bie08,Flo08,Gre14,Lee12], substitutional atoms [Kho09,Roc08] and functionalizations [Lop13,Bla10,Lop10, Lop09,Roc08]. For this purpose, different electronic structure methods were addressed, from tight binding (e.g.…”