80 citations · 150 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2025★ 8 cited
Roadmap on Advancements of the FHI-aims Software Package
Joseph W. Abbott, Carlos Mera Acosta, Alaa Akkoush +203
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accurac…
cond-mat.mtrl-sci2008★ 80 cited
Assessing the efficiency of first-principles basin-hopping sampling
Ralf Gehrke, Karsten Reuter
We present a systematic performance analysis of first-principles basin-hopping (BH) runs, with the target to identify all low-energy isomers of small Si and Cu clusters described w…
cond-mat.mtrl-sci2008★ 62 cited
Nature of Ar bonding to small Co_n^+ clusters and its effect on the structure determination by far-infrared absorption spectroscopy
Ralf Gehrke, Philipp Gruene, Andre Fielicke +2
Far-infrared vibrational spectroscopy by multiple photon dissociation has proven to be a very useful technique for the structural fingerprinting of small metal clusters. Contrary t…