Thesis title: Quantum chemistry computations of the diffusion and reactivity of atoms and light radicals on the surfaces of interstellar grains.
Supervisor: Prof. A. Rimola (Univ. Autonoma Barcelona)
Co-Supervisor: Prof. M. Sodupe (Univ. Autonoma Barcelona)
Recruitment Institution: Univ. Autonoma Barcelona, Spain 
Doctoral School: Univ. Autonoma Barcelona, Spain  
Mobility: The ESR will spend 6 months at the University of Torino (Italy) under the supervision of Prof. P. Ugliengo. 

Eligibility: European and non-European students who not have resided or carried out their main activity (work, studies, ect.) in Spain for more than 12 months in the 3 years immediately before the recruitment date.
Thesis description: 
Pre-stellar grains of dense molecular clouds consist of dust particles of silicates/carbonaceous materials covered by ice mantles, mainly of H2O but also of other volatile species such as CO, CO2, NH3 and CH3OH. These mantles provide the surfaces where reactions of astrochemical relevance can occur. Grain surface reactions take place through successive elementary steps: adsorption, diffusion and reaction of the reactants, and desorption of the products.
The thesis project aims at simulating, by means of quantum chemical methods, the diffusion and reaction steps involving atoms (i.e., H, O, N and C) and light radicals (i.e., OH, NH2 and CH3) that lead to the formation of interstellar compounds. The main goal is to provide a molecular description of the simulated processes, including unique, highly accurate energetic information, which will be of high value for the purposes of the ACO project and teams.

The thesis is part of the ACO network, whose ultimate goal is to reconstruct the early history of the Solar System by comparing presently forming solar-type planetary systems with its small bodies. The comparison will be based on the most advanced astrochemical knowledge, which will be developed by the interdisciplinary ACO team. 
Requested background: The successful applicant must have a Master’s degree in Computational/Theoretical Chemistry, or Chemistry, or Physics or Astrophysics by the time of enrollment and be highly motivated. Previous experience in computational chemistry chemistry modelling will be appreciated. Excellent undergraduate and Master's degree grades are expected as well as a high level of written and spoken English. Team work ability is essential.
Salary: The gross amount of the Research fellowship is paid as follows:
- 36 months: € 2180/month (living allowance) + € 446/month (mobility allowance) = € 2626 (monthly gross amount) plus possible Family Allowance in addition to coverage of study and research relates expenses.
Social security is fully covered. 
See details on the financial aspects of Marie Sklodowska-Curie-ITN in the Guide for applicants Marie Sklodowska-Curie Actions Innovative Training Networks (ITN) 2018, published at

How to apply

Send an email to the  address, The mail should include a letter of interest, a CV in pdf format and at least one recommendation letter.
Closing date for application: 2 June 2019
Expected date of recruitment: within 1 September and 1 November 2019.