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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 2019 · cond-mat.mtrl-sciShow all

2 papers · 2 filters

cond-mat.mtrl-sci2019★ 4 cited

Lithiation-delithiation cycles of amorphous Si nanowires investigated by molecular dynamics simulations

Julien Godet, Teute Bunjaku, Mathieu Luisier

The atomistic mechanisms during lithiation and delithiation of amorphous Si nanowires (-SiNW) have been investigated over cycles by molecular dynamics simulations. First, the Mo…

cond-mat.mtrl-sci2019★ 107 cited

One-dimensional edge contacts to a monolayer semiconductor

Achint Jain, Áron Szabó, Markus Parzefall +6

Integration of electrical contacts into van der Waals (vdW) heterostructures is critical for realizing electronic and optoelectronic functionalities. However, to date no scalable m…