activity
20102026
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations · 5.4k across the 14 of their papers we have counts for

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Showing 2011Show all

2 papers · 1 filter

cond-mat.mtrl-sci2011★ 77 cited

Microscopic origins of the anomalous melting behaviour of high-pressure sodium

Hagai Eshet, Rustam Z. Khaliullin, Thomas D. Kühne +2

Recent experiments have shown that sodium, a prototype simple metal at ambient conditions, exhibits unexpected complexity under high pressure. One of the most puzzling phenomena in…

cond-mat.mtrl-sci2011★ 354 cited

Nucleation mechanism for the direct graphite-to-diamond phase transition

Rustam Z. Khaliullin, Hagai Eshet, Thomas D. Kuhne +2

Graphite and diamond have comparable free energies, yet forming diamond from graphite is far from easy. In the absence of a catalyst, pressures that are significantly higher than t…