358 citations · 2.5k across the 53 of their papers we have counts for
3 papers · 1 filter
The energy landscape of fullerene materials: a comparison between boron, boron-nitride and carbon
Sandip De, Alexander Willand, Maximilian Amsler +3
Using the minima hopping global geometry optimization method on the density functional potential energy surface we study medium size and large boron clusters. Even though for isola…
The effect of ionization on the global minima of small and medium sized silicon and magnesium clusters
Sandip De, S. Alireza Ghasemi, Alexander Willand +3
We re-examine the question of whether the geometrical ground state of neutral and ionized clusters are identical. Using a well defined criterion for being "identical" together, the…
Structural Metastability of Endohedral Silicon Fullerenes
Alex Willand, Matthias Gramzow, S. Alireza Ghasemi +4
Endohedrally doped Si20 fullerenes appear as appealing building blocks for nanoscale materials. We investigate their structural stability with an unbiased and systematic global geo…