2 becas de doctorado, Química Computacional, Tarragona

2 becas de doctorado, Química Computacional, Tarragona
Fecha límite

__! Dos de los Grupos especializados en Química Computacional del ICIQ buscan candidatos para dos becas:
Beca 1:
Supervisor: Prof. Carles Bo
Referencia: PhD 2021-02
Proyecto: New computational methods for complex reactive systems

This project will focus on the development of our new simulation methods (Chem. Sci. 11, 8448–8456 (2020)) and their application to the study of complex reaction networks such as those involved in the formation of metal-oxo nanoclusters. These systems find interesting applications in catalysis and energy related fields.

Master degree in Chemistry (Computational Chemistry background), Chemical Engineering, Physics, Computer Science or related fields.

Programming skills (Python is a must), good communication skills in English, team work abilities.

__Beca 2:
Supervisor: Prof. Feliu Maseras
Referencia: PhD 2021-06

Proyecto: Computational mechanistic study of homogeneous nickel catalysis

Palladium is probably the most efficient transition metal for a number of highly applied reactions such as cross-coupling and arylation. Nickel should have similar properties, and is cheaper and less toxic, thus greener and more sustainable. However, preliminary studies in our group and others indicate significant differences between both metals. We intend to explore them systematically with DFT and DFT/MM methods.


B.Sc. + Master in Chemistry or related matter
Experience/interest in computational chemistry

Documentación a aportar:

Link para enviar solicitudes:

Podéis ver nuestra sala de cluster y laboratorio en el 0:36


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