About
I'm a researcher at the University of Iceland, working in the group of Hannes Jónsson. My current research lies at the intersection of atomistic simulations, materials science, and high-performance computing.
Contact info:
Alejandro Peña-Torres
School of Engineering & Natural Sciences and Division of Information Technology
Research
I hold a B.Sc. and M.Sc. in Chemistry from the National University of Colombia, where my early research focused on the theoretical development and computational implementation of Coupled Cluster methods for systems involving exotic particles such as positrons.
I completed my Ph.D. within an international doctoral program between the University of Bordeaux (France) and the University of the Basque Country (Spain). My doctoral work explored the interaction of N₂ molecules with tungsten surfaces, combining density functional theory (DFT) and classical molecular dynamics to investigate surface reactivity and energy dissipation mechanisms. You can check out my PhD thesis here.
Since 2019, I have been based in Iceland, where I have been part of, and contributed to diverse research projects involving ab initio calculations, molecular dynamics, adaptive kinetic Monte Carlo (AKMC) simulations, and code development and optimization.
A list of recent publications is available here.
In parallel with research, I am an active member of the Icelandic Research e-Infrastructure (IREI) team, where I support the Icelandic High Performance Computing Centre (IHPC). My work includes user support, infrastructure development, and research outreach.
For collaboration inquiries or project discussions, feel free to get in touch.
I completed my Ph.D. within an international doctoral program between the University of Bordeaux (France) and the University of the Basque Country (Spain). My doctoral work explored the interaction of N₂ molecules with tungsten surfaces, combining density functional theory (DFT) and classical molecular dynamics to investigate surface reactivity and energy dissipation mechanisms. You can check out my PhD thesis here.
Since 2019, I have been based in Iceland, where I have been part of, and contributed to diverse research projects involving ab initio calculations, molecular dynamics, adaptive kinetic Monte Carlo (AKMC) simulations, and code development and optimization.
A list of recent publications is available here.
In parallel with research, I am an active member of the Icelandic Research e-Infrastructure (IREI) team, where I support the Icelandic High Performance Computing Centre (IHPC). My work includes user support, infrastructure development, and research outreach.
For collaboration inquiries or project discussions, feel free to get in touch.