U. Gerstmann

works on

density functional theory 1 electronic structure 1 high-performance computing 1 open-source software 1 plane-wave methods 1 pseudopotentials 1

From the 1 of 21 linked papers with an AI index.

activity

20062026

most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 37.3k across the 20 of their papers we have counts for

collaborators

Showing 2021 · physics.opticsShow all

1 paper · 2 filters

physics.optics2021★ 9 cited

Polaronic Enhancement of Second-Harmonic Generation in Lithium Niobate

Agnieszka L. Kozub, Arno Schindlmayr, Uwe Gerstmann +1

Density-functional theory within a Berry-phase formulation of the dynamical polarization is used to determine the second-order susceptibility $χ^{(2)}$ of lithium niobate (LiNbO$_3…