Welcome to Dr. Mesías Orozco-Ic’s Page:

Electronic delocalization, aromaticity, and chemical bonding are central paradigms dictating the stability, symmetry, and electronic properties of molecular architectures. My research aims to unravel these fundamental phenomena from first principles and harness them for next-generation molecular electronics and optoelectronic materials.Combining quantum-chemical methods, non-equilibrium Green's functions (NEGF), and electromagnetism, we investigate magnetically induced current densities, quantum interference phenomena, and charge transport in nanoscale systems. I bridge the gap between fundamental concepts, such as ring currents and (anti)aromaticity and practical applications in through-space stacked molecular wires, single-molecule switches, and functional clusters. By expanding our framework with machine learning potentials, I seek to predict, understand, and rationally tailor quantum transport and functional responses across diverse chemical topologies.