Understanding of Molecular Materials.

At AMCLab, we explore the frontiers of chemical bonding, electronic structure, and magnetic response in nanoscale matter. Combining density functional theory (DFT) and chemical concepts for molecular modeling, we reveal the principles governing inorganic/organic chemistry, superatoms, all-metal aromaticity, and supramolecular host–guest encapsulation, pursuing designing the molecular building blocks of next-generation materials at Universidad San Sebastián, Chile.​