Publications


Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular Reactions


Rohit Goswami, Maxim Masterov, Satish Kamath, Alejandro Peña-Torres, Hannes Jónsson

2025


Evidence of Sharp Transitions between Octahedral and Capped Trigonal Prism States of the Solvation Shell of the Aqueous Fe3+ Ion


Amrita Goswami, Alejandro Peña-Torres, Elvar Ö. Jónsson, Sergei A. Egorov, Hannes Jónsson

The Journal of Physical Chemistry Letters, vol. 15, 2024, pp. 4523-4530


Flowy: High performance probabilistic lava emplacement prediction


Moritz Sallermann, Amrita Goswami, Alejandro Peña-Torres, Rohit Goswami

2024


Single-Atom Substituents in Copper Surfaces May Adsorb Multiple CO Molecules


Magnus A. H. Christiansen, Alejandro Peña-Torres, Elvar Ö. Jónsson, Hannes Jónsson

The Journal of Physical Chemistry Letters, vol. 15, 2024, pp. 5654-5658


Indirect mechanism of Au adatom diffusion on the Si(100) surface


Alejandro Peña-Torres, Abid Ali, Michail Stamatakis, Hannes Jónsson

Phys. Rev. B, vol. 105(20), American Physical Society, 2022 May, p. 205411


From AC-STEM Image to 3D Structure: A Systematic Analysis of Au55 nanocluster


Kusse S. Bersha, Alejandro Peña-Torres, Hannes Jónsson

2021


Energy Dissipation Effects on the Adsorption Dynamics of N2 on W(100)


A. Peña-Torres, H. F. Busnengo, J. I. Juaristi, P. Larregaray, C. Crespos

The Journal of Physical Chemistry C, vol. 123, 2019, pp. 2900-2910


Dynamics of N2 sticking on W(100): the decisive role of van der Waals interactions


Alejandro Peña-Torres, H. Fabio Busnengo, J. Iñaki Juaristi, Pascal Larregaray, Cédric Crespos

Phys. Chem. Chem. Phys., vol. 20(29), The Royal Society of Chemistry, 2018, pp. 19326-19331


Inelastic Scattering of N2 off W(001): Reconciling Experiment and Theory at Low Collision Energies


C. Ibarguen, P. Larregaray, A. Peña-Torres, C. Crespos

The Journal of Physical Chemistry C, vol. 122, 2018, pp. 28856-28861

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