Theoretical Chemical Physics

Our combines quantum chemistry, condensed matter physics, and materials science to understand and predict the behavior of matter from first principles. Based in the Department of Physics, Faculty of Sciences, University of Chile, our team develops and applies electronic-structure methods to study atoms, molecules, surfaces, and functional materials.

An Electronic Structure Team

Our group conducts research at the intersection of physics, chemistry, and materials science. Our various lines of research are closely linked through the understanding of electronic structure.

Astrochemistry

Study of chemical reactions and molecular collisions in extreme environments.

Atomic & Molecular Physics

Study of the nuclear and electronic dynamics of atoms and molecules, both isolated and interacting.

Chemical Reactivity Theory

Elucidation and understanding of chemical reactions from the principles of quantum mechanics.

Superconductivity

Study and prediction of new superconducting materials.

Altermagnetism

Study and design of altermagnetic materials.

Topological Materials

Study and design of topological materials.

NEWS

  • Undergraduate Physics Research Day

    Undergraduate Physics Research Day

    The Undergraduate Physics Research Day took place on Wednesday, November 12, bringing together undergraduate students to showcase their ongoing research projects through short presentations. Two of our undergraduate students had an outstanding participation in the event. Bruno Moreno presented his work on “Molecular Fragmentation Induced by Ionization,” offering insightful perspectives on Coulomb explosions trough Ab-initio…

  • Visit of Prof. Karin M. Rabe

    Visit of Prof. Karin M. Rabe

    During the week of November 3–7, 2025, our group had the honor of hosting Prof. Karin M. Rabe, a distinguished theoretical physicist from Rutgers University (USA), internationally recognized for her pioneering contributions to the theory and design of functional materials using first-principles methods. Her visit took place within the framework of the 60th Anniversary Congress of the Faculty…

  • Mini School: SimMat 2025

    Mini School: SimMat 2025

    From August 4 – 8, 2025, the Mini-School SimMat 2025 took place at the Juan Gómez Millas campus of the University of Chile. The event was organized by our research group and focused on introducing students and early-career researchers to modern computational materials science. It combined theoretical lectures with hands-on sessions on first-principles simulations, data analysis, and…