activity
20182026
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations · 4.8k across the 6 of their papers we have counts for

collaborators
Showing 2023Show all

1 paper · 1 filter

cond-mat.mtrl-sci2023

Water dissociation on pristine low-index TiO2 surfaces

Zezhu Zeng, Felix Wodaczek, Keyang Liu +4

Water absorption and dissociation processes on pristine low-index TiO interfaces are important but poorly understood outside the well-studied anatase (101) and rutile (110). To…