Nanomaterials

Ab-initio heat transport in defect-laden quasi-1D systems from a symmetry-adapted perspective

Accelerating Green-Kubo heat transport simulations for quasi-1D systems using highly accurate machine-learned force fields

PULGON Project

An FWF-funded initiative developing symmetry-adapted methods for phonons in quasi-1D nanomaterials (nanotubes, nanowires) using line group theory. The project enables accurate …