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Ikerbasque Eusko Jaurlaritza

Job Vacancies

This job offer was closed at 2022-10-21

DIPC - Donostia International Physics Center

Research Assistant position in "Designing organic molecules for reversible charge-to-spin conversion"

Research Field: Physics 
Sub Research Field:  

Job Summary

Organic molecular magnetism is a rapidly evolving field that offers exciting applications in areas ranging from qubits to chemical synthesis. However, the currently available molecular architectures exploit only a fraction of the available chemical space, and consequently, the potential of organic magnetism is somehow constrained. Current efforts in our group aim at remedying this and focus on establishing a general and reversible approach to introduce magnetic properties in broader families of organic molecules. For this, we employ a concerted experimental and computational approach. Building on ongoing studies at the group, in this project you will use computational chemistry methods to i) characterise diradical formation in a series of biologically active organic molecules and ii) assess the diradical character role in the molecular biological function.

Job Description

To that end you will employ sophisticated density functional and wavefunction-based electronic structure methods applied to multistate models of increasing complexity: from the isolated molecule, to solvated systems, to protein-molecule complexes. At the latter stage, using reported crystal structures, molecular dynamics will also be employed to describe possible radical-based chemical reactivity between the molecule and nearby protein residues. Across the multiple targeted molecules, structure-property correlations will be drawn to propose clear design strategies and obtain tuneable diradical character.

Your work will be carried out in close contact with results obtained from EPR and magnetometry characterisation techniques. Depending on your preferences, you will also be able to employ spin Hamiltonians to model the experimental magnetic data.

The candidate is expected to have a good knowledge of organic chemistry, quantum mechanics and electronic structure theory of molecules, as well as excellent oral and written communication skills in English.


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FP7 / PEOPLE / Marie Curie Actions

Research Framework Programme/
Marie Curie Actions
SESAM Agreement Number  

Job Details

Type of Contract Temporary 
Status Full-time 
Hours Per Week   
Company/Institute Fundación Donostia International Physics Center 
Country SPAIN 

Organization/Institute Contact Data

Organization DIPC - Donostia International Physics Center 
Organization/Institution Type Research Laboratory 
Faculty/Department/Research Lab  
Country SPAIN 
City Donostia - San Sebastian 
Postal Code E-20018 
Street Paseo Manuel de Lardizabal, 4 
Phone +34 943 01 53 68 
Mobile Phone  

Application Details

Envisaged Job Starting Date 2022-12-01 
Application Deadline 2022-10-21 
How To Apply e-mail