General Objective: Strengthening and Consolidation of the Ecuadorian Group for the Experimental and Theoretical Study of GETNano Nanosystems formed by UTPL-EPN-USFQ-ESPOCH, within the framework of the 4th call.
Specific objectives:
- Organize the First School of Scientific Computing Methods for the training of young scientists in the area of quantum-mechanical simulation, through the use of specialized software.
- Implementation of a quantum-mechanical calculation laboratory at ESPOCH to strengthen GETNano.
- Incorporation of new research projects that contemplate the quantum-mechanical and molecular dynamics simulation of nanosystems and that require the computational resources available in the computer laboratory cluster for the calculation of material properties of the UTPL and CEDIA .
- Disseminate in Ecuador the importance of theoretical studies of materials in frontier research and the development of high-impact scientific projects in fields such as nanotechnology and materials science; through the organization of workshops as part of the 1st School of Methods in Scientific Computing.
- Participation of students from the universities that are members of GETNano in schools and international scientific congresses to consolidate the presence of GETNano at an international level.
- Train undergraduate students in science and engineering as young scientists through their participation in all phases of theoretical research projects that are developed in the computer lab. Through this, it is intended to promote the generation of knowledge in Ecuador and achieve its scientific development.
- Organization of Seminars and online conferences using the resources of the CEDIA Network.
- Archive the materials generated in conferences and seminars in the CEDIA digital repository to make them available to the entire Ecuadorian scientific community.
- Make the most of the communication and connection potential offered by the CEDIA Network to facilitate the joint work of GETNano researchers.
Participants:
- ESPOCH: Ms Robert Cazar
- USFQ: Ph.D Fernando Torres
- UTPL: PhD Silvia Gonzales
- EPN: Ph.D. Cesar Costa
Project status: Finished
Project website: www.utpl.edu.ec/getnano
Articles published by GETNano during the CEPRA VI Project:
Manzano, S., Zambrano, CH, Mendez, MA, Dueno, EE, Cazar, RA, & Torres, FJ (2013).
A theoretical study of the conformational preference of alkyl- and aryl-substituted pyrogallol [4] arenes and evidence of the accumulation of negative electrostatic potential within the cavity of their rccc conformers. Molecular Simulation, (ahead-of-print), 1-8. Rodríguez, CG, Urbina, AS, Torres, FJ, Cazar, D., & Ludeña, EV (2013).
Non-Born-Oppenheimer nuclear and electronic densities for a three-psection Hooke-Coulomb model. Computational and Theoretical Chemistry. Mendez, MA & Szalai, VA (2013).
Synapsable quadruplex-mediated fibers. Nanoscale Research Letters. Becerra, M., Posligua, V., & Ludeña, EV (2012). Non‐born–oppenheimer nuclear and electronic densities for a hooke‐coulomb model for a four‐psection system. International Journal of Quantum Chemistry. V. Cazar, R. Cazar D. & Torres, FJ Theoretical study of the electronic properties and kinetics of formation of pyrogallol[4]arenes (submitted for publication in Universitas Scientiarum)
Awarded budget: $30000
