My PhD thesis is focused on the development of models/methods able to account for strong electron correlations in the ground and excited states of medium and large molecules. Current work is focused on efficient approximations to recover the missing dynamic electron correlation effects by merging wave function methods with DFT. Also, due to their importance for intersystem crossing (ISC), part of the work is dedicated to elucidating the role of spin-orbit coupling (SOC) in systems of interest.
Education
· 2019: PhD student at DIPC (Supervisors: D. Casanova and E. Matito)
· 2019: 1-month visiting Ralph Gebauer’s group, ICTP, Trieste, Italy
· 2019: 1 month visiting MSc. Student, Andres Vega Hierro’s group, Universidad de Valladolid, Valladolid, Spain
· 2019: Master degree in Science (Physics) at the Universidad Autónoma de San Luis Potosí (UASLP)
· 2017: Degree in chemistry at the University of Guanajuato (UG)
· 2012: Clinical Laboratory Technician (CBTis 238, J. Rosas Gto. Mex.)
Schools, Courses, and Workshops
· 2021: Optical Spectroscopy of Conjugated Organic Materials (participant, Universität Tübingen)
· 2019: The density functional theory. A practical introduction (instructor, IER-UNAM)
· 2016: Drug Design Workshop (participant, UG)
Participation in events/congresses
· Poster presentation: Workshop México-Chile, San Luis Potosí, S.L.P. México, 2018
· Poster presentation: XVII Reunión Mexicana de Fisicoquímica Teórica, Monterrey, México, 2018
· Poster presentation: XVI Reunión Mexicana de Fisicoquímica Teórica, Puebla, México, 2017
· Oral communication: 4to. Encuentro de Jóvenes Investigadores, Guanajuato, México, 2016
Publications
2. J. A. Rodríguez, A. Carreras, D. Casanova
Short-range DFT energy correction to multiconfigurational wave functions for open-shell systems
J. Chem. Phys. 154, 124116 (2021)
1. A. J. Rodríguez-Jiménez, E. Díaz-Cervantes, F. Aguilera-Granja, J. Robles
Computational study of GanAsm (m + n = 2–9) clusters using DFT calculations
J. Nanopart. Res. 21, 1 (2019)
