28 citations · 55 across the 5 of their papers we have counts for
5 papers
Orientation Adaptive Minimal Learning Machine: Application to Thiolate-Protected Gold Nanoclusters and Gold-Thiolate Rings
Antti Pihlajamäki, Sami Malola, Tommi Kärkkäinen +1
Machine learning (ML) force fields are one of the most common applications of ML methods in the field of physical and chemical science. In the optimal case, they are able to reach…
From Molecular to Metallic Gold Nanoparticles: The Role of Nanocrystal Symmetry in the Crossover Region
Sami Malola, Sami Kaappa, Hannu Hakkinen
Bulk gold is a good metal, i.e., conductor of electricity and heat, due to its delocalized electron density that can respond to extremely small external perturbations such as elect…
Effects of Bending on Raman-active Vibration Modes of Carbon Nanotubes
Sami Malola, Hannu Häkkinen, Pekka Koskinen
We investigate vibration modes and their Raman activity of single-walled carbon nanotubes that are bent within their intrinsic elastic limits. By implementing novel boundary condit…
Optical absorption by magnesia-supported gold clusters and nanocatalysts: effects from the support, cluster and adsorbants
Michael Walter, Hannu Häkkinen
Polarization-resolved optical spectra of magnesia-supported gold clusters Au/MgO (N=1,2,4,8), bound at a surface color center of the MgO(100) face, are calculated from th…
Gold nanowires and their chemical modifications
Hannu Hakkinen, Robert N. Barnett, Uzi Landman
Equilibrium structure, local densities of states, and electronic transport in a gold nanowire made of a four-atom chain supported by two gold electrodes, which has been imaged rece…