Full professor. Óscar is in charge of the main features of the computational lab, managing both the hardware and software, compiling and tunning all the programs that runs on our computer servers.
- Photocatalyst with Metal Oxides.
- Transition Metal Catalyst.
- Genetic Algorithms for Molecular Structures.
- Reaction Mechanism using DFT.
Full professor. He studied his PhD at the Uppsala University. Here in México Enrique has collaborated with Ricardo Gómez, Osvaldo Goscinski, Jésus Morales among others.
- Transition Metal Catalyst.
- Multiconfigurational SCF calculations.
- Spin contamination.
Email: enro@azc.uam.mx
Adjunct Professor. He studied his PhD at Universidad Autónoma Metropolitana. He was awarded with the medal disctintion, both for his Master and PhD, for the best grades. He was also recognized with the best thesis award for best research work in the field of science.
- Dye degradation (DFT).
- MOFS electronic density.
- TiO2, Fe2O3, ZIF's.
- VASP, ORCA, BASH, Python, html.
Adjunct Professor. He studied his Master at Universidad Autónoma Metropolitana. He was awarded with the medal disctintion for the best grades in the Master program of Material Science and Engineering.
- Bimetal nanoclusters (DFT)
- Transition State Theory.
- Intrinsic Reaction Coordinate.
Associate Professor. He studied his PhD at the CINVESTAV. He is a member of the Química Aplicada research group at the UAM-Azcapotzalco.
- Density Maps Visualization.
- Density Functional Theory.
- Molecular Organic Frameworks.
Email: vdds@azc.uam.mx.
PhD Student. He studied his Master at Universidad Autónoma Metropolitana. Currently he is studying its PhD at the Università degli Studi di Milano-Bicocca, under the guidance of Professor Gianfranco Pacchioni.
- Solid State Physics.
- Heterojunctions of Metal Oxides.
- VASP, ORCA, python.
M.S. Arnulfo Montoya Moreno
PhD Student
Research
- Genetic Algorithms.
- Fe2O3 Metal oxides.
Contact
arnulfomontoya@gmail.com
Eng. Jean Luis Castillo Sánchez
M. Science Student
Research
- Double Perovskites.
- Genetic Algorithms.
- VASP, Crystal, Uspex.
- Bash, Python.
Contact
al2201801641@azc.uam.mx
Gabriela García Mendoza
Undergraduate Student
Research
- Hydroxyl radical degradation.
- Degradation of pharmaceutical compounds.
- DFT software ORCA 5.0.3
Contact
gsgm@azc.uam.mx
Miguel González Sánchez
Undergrad Student
Research
- Reaction Mechanisms.
- BASH, ORCA.
Contact
al2183039529@azc.uam.mx
Eng. Lucia Ariana Alvarez Valencia
Chemical Engineer
Research
- VASP, ORCA.
- Metal Organic Framework.
- Zeolites Clinoptilolite.
Contact
lucia_av@protonmail.com
Egresados
M.S. Fernanda Tonantzin Martínez,
Master on Materials Science and Engineer UAM-A.
Tesis:
Rol de los planos cristalogr´ficos {0001} y {01-12} de la alfa-Fe2O3 en la remoción del arsénico.
M.S. Miriam Ballesteros Olvera,
Master on Materials Science and Engineer UAM-A.
Tesis:
Fonones ab initio para el cálculo de la conductividad térmica en TiO2
En. Alfonso Nájera Gil, B.A Physical Engineer UAM-A.
Tesis: Estudio geométrico y electrónico mediante algoritmos genéticos y DFT .
En. Madelin Rodríguez Ángeles, B.A Chemical Engineer UAM-A.
Tesis: Efecto del equilibrio tautomérico en la degradación del AA7.
En. Indira Suárez López, B.A Physical Engineer UAM-A.
Tesis: Adsorción de cúmulos de Au sobre alpha-Fe2O3 hematita.