output
20032022
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2018 · cond-mat.mtrl-sciShow all

2 papers · 2 filters

cond-mat.mtrl-sci2018★ 5 cited

Thermal Properties of Disordered LixMoS2 - An Ab-Initio Study

Teutë Bunjaku, Mathieu Luisier

An atomistic study of the thermal properties of lithiated molybdenum disulfide (MoS2) is presented and an explanation for the experimentally determined anisotropic behavior of the…

cond-mat.mtrl-sci2018★ 2 cited

Electronic Properties of Lithiated SnO-based Anode Materials

Dominik Bauer, Teute Bunjaku, Andreas Pedersen +1

In this paper we use an ab-initio quantum transport approach to study the electron current flowing through lithiated SnO anodes for potential applications in Li-ion batteries. By i…