ESR 13

Thesis title: Quantum chemical computations on gas phase neutral-neutral reactions of interstellar molecules. 
Supervisor: Dr. N. Faginas-Lago (Master Up, Perugia)
Co-Supervisor: Prof. M. Rosi (University of Perugia)
Recruitment Institution: University of Perugia, Italy
Doctoral School: University of Perugia, Italy
Mobility: The ESR will spend 6 months at University of Grenoble Alpes - IPAG, France, under the supervision of Prof. C. Ceccarelli. 

Eligibility: European and non-European students who not have resided or carried out their main activity (work, studies, ect.) in Italy for more than 12 months in the 3 years immediately before the recruitment date.
Thesis description: 
The aim of this project is to compute the energetic and dynamics of crucial neutral-neutral and ion-neutral reactions in the gas phase, involving interstellar molecules.  The potential energy surfaces of the systems of interest will be investigated using very accurate ab initio methods, which include correlation effects at a very high level. Different methods will be employed depending on the target, i.e. ground or excited states. Extended basis sets will be used. The computed energy barriers and frequencies will be employed for the evaluation of rate constants which can be used for a comparison and an integration of experimental results, obtained from other partners of the ACO network. The calculations will be performed using the main packages of computational chemistry (Gaussian, Molpro, ADF, …) as well as internally developed computer programs.

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 good knowledge of the main methods of Theoretical Chemistry, as well as experience on computational techniques. A  Master’s degree in Chemistry, better if oriented to Computational/Theoretical Chemistry, by the time of enrollment is requested, as well as a high level of written and spoken English. Previous experience in the use of computational chemistry methods and in programming languages 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:
- for the first 27 months: € 2826,3/month (living allowance) + € 488,5/month (mobility allowance) = € 3268 (monthly gross amount) plus possible Family Allowance in addition to coverage of study and research relates expenses;
- for the last 9 months: € 1770/month.
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.