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
Associate 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.
Associate 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.
Full 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.
Associate Professor. 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 Giangranco Pacchioni.
- Solid State Physics.
- Heterojunctions of Metal Oxides.
- VASP, ORCA, python.
Students
M.S. Arnulfo Montoya
PhD Student
Research
- Genetic Algorithms.
- Fe2O3 Metal oxides.
Contact
arnulfomontoya@gmail.com
Eng. Jean Luis Castillo Sánchez
Postgraduate Student
Research
- Double Perovskites.
- Lead free solar cells.
- VASP, Crystal, Bash, Python.
Contact
al2201801641@azc.uam.mx
Eng. Elsa Lucía Soto Bermúdez
Chemical Engineer
Research
- VASP.
- Lead Free Perovskites.
- Bash scripting, Python.
Contact
al2192042552@azc.uam.mx
Eng. Diego Antonio Juárez Velázquez
Environmental Engineer
Research
- Water pollution.
- Fe3O4 magnetite crystal.
- VASP, ORCA.
- Bash, Python.
Contact
al2213001580@azc.uam.mx
Eng. Brandon Benites Luviano
Environmental Engineer
Research
- Water pollution.
- Fe3O4 magnetite crystal.
- VASP.
Contact
al2192045339@azc.uam.mx
Graduated
Eng. Angélica Reyes Aguilar, B.A Chemical Engineer UAM-A. Tesis: Estudio teórico-experimental de la adsorción de iones F sobre hematita/zeolita.
Eng. Baruj Furlong Oceguera, B.A Chemical Engineer UAM-A. Tesis: Influencia de los defectos estructurales en la adsorción de As en ZIF-8 usando la DFT.
Eng. Miguel Ángel González Sánchez, B.A Environmental Engineer UAM-A. Tesis: Determinación de la energía de adsorción del H2S en MFM-300 usando la DFT.
Eng. Gabriela García Mendoza, B.A Chemical Engineer UAM-A. Tesis: Estudio teórico del mecanismo de degradación via radicales libres del fármaco sulfametoxazol utilizando DFT
M.S. Fernanda Tonantzin Martínez, Master on Environmental Science and Engineer UAM-A. Tesis : Rol de los planos cristalograficos (0001) y (0112) de la Fe2O3 en la remocion de As
Eng. Lucía Ariana Álvarez Valencia, B.A Chemical Engineer UAM-A. Tesis: Mecanismo de adsorción de iones F en en M-Clinoptilolita presentes en aguas subterráneas.
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
Eng. Alfonso Nájera Gil, B.A Physical Engineer UAM-A. Tesis: Estudio geométrico y electrónico mediante algoritmos genéticos y DFT .
Eng. Madelin Rodríguez Ángeles, B.A Chemical Engineer UAM-A. Tesis: Efecto del equilibrio tautomérico en la degradación del AA7.
Eng. Indira Suárez López, B.A Physical Engineer UAM-A. Tesis: Adsorción de cúmulos de Au sobre alpha-Fe2O3 hematita.