Leonardo Muñoz Rugeles is a researcher in computational chemistry. His work focuses on molecular simulation using Density Functional Theory (DFT) and molecular dynamics, applied to the study of radical reactivity, repair and antioxidant mechanisms in biomolecules, as well as complex water–oil–solid interfaces and graphene oxide systems.

In earlier stages of his research career, he worked in photophysics and laser spectroscopy, investigating multiphoton ionization induced by nanosecond (ns) laser pulses and fragmentation analysis using time-of-flight (TOF) spectrometry. He also studied excited-state dynamics employing transient absorption and fluorescence up-conversion techniques with femtosecond (fs) pulses.