I recently joined the Organic Electronics group of Dr. Denis Andrienko at the Max Planck Institute for Polymer Research (MPIP) as a postdoctoral researcher.
In 2020, I entered Prof. Kurt Kremer's Polymer Theory department at the MPIP, under the supervision of Dr. Robinson Cortes-Huerto, as a PhD student. My research focused mainly on three branches: First, we developed and implemented finite-size integral equations to identify and correct finite-size effects present in computer simulations. Second, we applied such methods to idealized and realistic systems to compute relevant quantities in the thermodynamic limit. Lastly, we used these tools to propose a scheme to verify whether simulations sample the grand canonical ensemble. Within this framework, we proved that the Hamiltonian Adaptive resolution simulation method, where a system's atomistic and ideal gas representations coexist in thermal and chemical equilibrium, is a consistent and robust scheme to perform open-boundary molecular dynamics simulations.
I studied for my Bachelor's and Master's degrees at the National University of Colombia in Prof. Thomas Dittrich's Chaos and Complexity group. I worked under the supervision of Prof. Carlos Viviescas. In my thesis, we focused on a combined theoretical and computational approach to approximate the quantum dynamics from classical information, i.e. semiclassical dynamics, in the Wigner representation of quantum mechanics. We proved that the van Vleck-Gutzwiller-like Semiclassical dynamics in phase space proposed in the group can correctly describe quantum correlations, even for long times, in an efficient and highly parallelizable manner as an initial value representation scheme.