PhD Position in Computational Chemistry

hace 4 días


Madrid, Madrid, España Euraxess A tiempo completo
Researcher in Computational Chemistry

The group of Daniel Reta at the Faculty of Chemistry of the UPV/EHU in San Sebastian, Basque Country, Spain, is seeking a highly motivated and talented PhD student to join their team. This position will focus on the computational description of charge-to-spin conversion in organic molecules, specifically within the framework of the ERC Starting Grant project "RadicalProtON".

Project Overview

The project aims to establish new ways of introducing radical properties in organic molecules and exploit them to develop novel chromophores and drugs. The researcher will contribute to this goal using a range of computational chemistry methods, including density functional theory and multireference-based methods.

Responsibilities
  • Study the electronic structure of organic molecules with diradical character
  • Investigate the role of the diradical character in the molecular biological function
Requirements

The ideal candidate will have a strong background in computational chemistry and experience with density functional theory and multireference-based methods. They will also be highly motivated and able to work independently in a dynamic and collaborative environment.

What We Offer

The researcher will join a young and highly motivated group, where they will work in close contact with group members who focus on the synthesis and characterisation of the molecules they will study. They will also have the opportunity to engage in a continuous and constructive exchange of feedback with their experimental colleagues and maximise the impact of their research.



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