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 …
•
1 min read
An FWF-funded initiative developing symmetry-adapted methods for phonons in quasi-1D nanomaterials (nanotubes, nanowires) using line group theory. The project enables accurate …
Developing and applying computational methods to calculate thermal conductivity from first principles. This includes Green-Kubo molecular dynamics, Boltzmann Transport Equation …