12 citations · 12 across the 3 of their papers we have counts for
5 papers
An efficient approach to electron-phonon coupling calculations of heterostructures within an all-electron framework
Ignacio Gonzalez Oliva, Sebastian Tillack, Fabio Caruso +2
A major challenge in calculating electron-phonon coupling at interfaces from first principles is the prohibitive computational cost due to the large supercells involved. Here, we p…
An exciting approach to theoretical spectroscopy
Martí Raya-Moreno, Alexander Buccheri, Noah Alexy Dasch +27
Theoretical spectroscopy, and more generally, electronic-structure theory, are powerful concepts for describing the complex many-body interactions in materials. They comprise a var…
Impact of electron-phonon interaction on the electronic structure of interfaces between organic molecules and a MoS monolayer
Ignacio Gonzalez Oliva, Sebastian Tillack, Fabio Caruso +2
By means of first-principles calculations, we investigate the role of electron-phonon interaction in the electronic structure of hybrid interfaces, formed by MoS and monolayers…
Automatic Generation of Maximally Localized Wannier Functions via Optimized Projection Functions and Self-projections
Sebastian Tillack, Claudia Draxl
We present an automatized approach towards maximally localized Wannier functions (MLWFs) applicable to both occupied and unoccupied states. We overcome limitations of the standard…
Maximally localized Wannier functions within the (L)APW+LO method
Sebastian Tillack, Andris Gulans, Claudia Draxl
We present a robust algorithm that computes (maximally localized) Wannier functions (WFs) without the need of providing an initial guess. Instead, a suitable starting point is cons…