7.5k citations · 17.6k across the 81 of their papers we have counts for
3 papers · 1 filter
The performance of Minima Hopping and Evolutionary Algorithms for cluster structure prediction
Sandro E. Schoenborn, Stefan Goedecker, Shantanu Roy +1
We compare Evolutionary Algorithms with Minima Hopping for global optimization in the field of cluster structure prediction. We introduce a new {\em average offspring} recombinatio…
Structural fuzziness of large gold clusters
Kuo Bao, Stefan Goedecker, Kenji Koga +2
The energetic ground state of gold clusters with up to 314 atoms consists of rather complicated geometries that have only a weak resemblance to the perfect icosahedra, decahedra an…
Daubechies wavelets as a basis set for density functional pseudopotential calculations
Luigi Genovese, Alexey Neelov, Stefan Goedecker +8
Daubechies wavelets are a powerful systematic basis set for electronic structure calculations because they are orthogonal and localized both in real and Fourier space. We describe…