8 citations · 12 across the 7 of their papers we have counts for
7 papers
Dimerization of Ag adatoms on Si(100) at surprisingly low temperature due to adatom migration on top of Si-dimer rows
Alejandro Peña-Torres, Michail Stamatakis, Hannes Jónsson
The puzzling experimental observations of Ag addimer formation on the Si(100) surface upon vapor deposition at low temperature, even as low as 140 K, reported by Huang et al. [Phys…
Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular Reactions
Rohit Goswami, Maxim Masterov, Satish Kamath +2
The task of locating first order saddle points on high-dimensional surfaces describing the variation of energy as a function of atomic coordinates is an essential step for identify…
Flowy: High performance probabilistic lava emplacement prediction
Moritz Sallermann, Amrita Goswami, Alejandro Peña-Torres +1
Lava emplacement is a complex physical phenomenon, affected by several factors. These include, but are not limited to features of the terrain, the lava settling process, the effusi…
Single Atom Substituents in Copper Surfaces May Adsorb Multiple CO Molecules
Magnus A. H. Christiansen, Alejandro Peña-Torres, Elvar Ö. Jónsson +1
Copper is a good CO2 electroreduction catalyst as products beyond CO form, but efficiency and selectivity is low. Experiments have shown that admixture of other elements can help,…
Evidence of sharp transitions between octahedral and capped trigonal prism states of the solvation shell of Fe(aq)
Amrita Goswami, Alejandro Peña-Torres, Elvar Ö. Jónsson +2
The structure of the solvation shell of aqueous Fe ion has been a subject of controversy due to discrepancies between experiments and different levels of theory. We address…
Indirect Mechanism of Au adatom Diffusion on the Si(100) Surface
Alejandro Peña-Torres, Abid Ali, Michail Stamatakis +1
Calculations of the diffusion of a Au adatom on the dimer reconstructed Si(100)-2x1 surface reveal an interesting mechanism that differs significantly from a direct path between op…
From AC-STEM Image to 3D Structure: A Systematic Analysis of Au55 nanocluster
Kusse S. Bersha, Alejandro Peña-Torres, Hannes Jónsson
Aberration-corrected scanning electron microscopy (AC-STEM) can provide valuable information on the atomic structure of nanoclusters, an essential input for gaining an understandin…