The group

People

Professors, graduate and undergraduate students, and the alumni whose theses came out of this lab.

Professors

5 members

Dr. Óscar Olvera Neria

Full professor

Runs the computational lab — hardware, software, and the compilation and tuning of every program on the group’s servers.

Photocatalysis with metal oxides Transition-metal catalysis Genetic algorithms Reaction mechanisms (DFT)

oon@azc.uam.mx ResearchGate Tel. (+52) 55 53 1895 05

Dr. Enrique Poulain

Full professor

PhD from Uppsala University. In Mexico he has worked with Ricardo Gómez, Osvaldo Goscinski and Jesús Morales, among others.

Transition-metal catalysis Multiconfigurational SCF Spin contamination

enro@azc.uam.mx

Dr. Julio González Torres

Adjunct professor

PhD from Universidad Autónoma Metropolitana, with medal distinction for both his Master’s and his PhD, and the award for the best research thesis in science.

Dye degradation (DFT) MOF electron density TiO₂ · Fe₂O₃ · ZIFs VASP · ORCA · Python

jcgt@azc.uam.mx ResearchGate ORCID Scholar

M.S. Raúl García Cruz

Adjunct professor

Master’s from Universidad Autónoma Metropolitana, with medal distinction for the best grades in the Materials Science and Engineering programme.

Bimetallic nanoclusters (DFT) Transition state theory Intrinsic reaction coordinate

rgc@azc.uam.mx ResearchGate ORCID Tel. (+52) 55 53 1895 05

Dr. Víctor Domínguez

Associate professor

PhD from CINVESTAV. Member of the Química Aplicada research group at UAM Azcapotzalco.

Density map visualisation Density functional theory Metal–organic frameworks

vdds@azc.uam.mx

Students

6 members

M.S. Antonio Cipriano Marcos

PhD student

Master’s from Universidad Autónoma Metropolitana. Now a PhD student at the Università degli Studi di Milano-Bicocca, with Professor Gianfranco Pacchioni.

Solid-state physics Metal-oxide heterojunctions VASP · ORCA · Python

lantonio_cm@proton… ResearchGate ORCID