Symmetry

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

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 …

Symmetry-Based Materials Design

Using group theory and first-principles calculations to systematically determine ground states of alloys and accelerate the identification of stable configurations in complex …