Research Scholarship: CQC - UIDB/00313/2020 - Process 773497;

CALL FOR RESEARCH FELLOWSHIP

PROCESS 773497

University of Coimbra opens a call for one research fellowship, in the framework of the research Centre Coimbra Chemistry Centre (CQC) (reference: UIDB/00313/2020), financed by Foundation for Science and Technology, IP with national funds (PIDDAC) via the State Budget,in the following conditions:

Scientific area: Chemistry.

Skills/Qualifications/Admission requirements: Masters degree in Chemistry, enrolled in a doctoral program in the area (Doctoral Program of Chemistry).

Although the recipients must be enrolled in a cycle of studies leading to the attribution of an academic degree, at the time of application it is not necessary for the candidate to have made such an enrollment, and proof of enrollment must be presented until the fellowship is contractualized. Candidates are only required to meet the requirements to enroll in the training offer. If there are candidates already enrolled (including attending a course), they compete on an equal footing with those who are not enrolled.

Work plan/ Objectives: In this project computational methods will be used to design materials suitable for the removal of pesticides. The functionalization of carbon based materials (graphene, graphene oxide and biochar) will be sought, to optimize the adsorption of different pesticides. In a first phase of the work, computational studies of pesticide aggregation to non-functionalized carbon materials will be performed. This will help the identification of the materials that possess the biggest adsorption of different pesticides. The structural forms that enhance the adsorption will also be investigated. The second phase entails the optimization of the adsorption through the functionalization of the materials with groups that strongly interact with the chosen pesticides. The choice and surface distribution of these groups might be done using artificial intelligence techniques. In these studies electronic structure calculations will be used to characterize the molecular interactions, global optimization methods based on genetic algorithms for the identification of the lowest energy structures and molecular dynamics simulations to gain insight into the adsorption processes of the pesticides in the different materials.

Regime: The attribution of the fellowship does not generate or entitle a relation of a legal-labour nature, and the fellowship is undertaken in an exclusive dedication regime. The fellowship holder is awarded the Fellowship Statute of the UC, in its current wording, according to the Research Fellowship Holder Statute , and according to the Regulation for Research Fellowships of the Fundação para a Ciência e a Tecnologia, I.P., both in their current wording.

Location: Coimbra Chemistry Centre (CQC) - Department of Chemistry, Faculty of Science and Technology at the University of Coimbra.

Duration: 12 months.

Renewal: Eventually renewable.

Scientific orientation: Professors Jorge Manuel Campos Marques and Paulo Eduardo Martins de Castro Neves de Abreu.

Financial conditions: The amount of the fellowship is € 1.104,64 corresponding to the monthly compensation stipulated in the FCT table (https://www.fct.pt/apoios/bolsas/valores.phtml.en ), plus social security (Seguro Social Voluntário, first level contributions) and personal accidents insurance. The payment will be made by bank transfer. This amount will not be increased during the entire period of the fellowship duration.

Selection methods: CV evaluation (50%) and Interview (50%).

Selection criteria: CV evaluation considers the following criteria:

- Average grade of the Masters degree (25%);

- Scientific papers in Computational Chemistry and experience in Molecular Dynamics (20%);

- Other relevant scientific markers (5%);

In the Interview the following criteria will be used:

- Motivation (20%);

- Usage experience in High Performance Computing systems (10%);

- Proficiency in programming languages and usage of molecular dynamics and electronic structure calculations programs (20%).

Jury responsible for selection: Professors Alberto António Caria Canelas Pais, Artur José Monteiro Valente and Rui Fausto Martins Ribeiro da Silva Lourenço.

Formalization of application: Applications must be performed by sending the following mandatory elements:

- Motivation Letter;

- Certificate of the Master's degree in Chemistry, with final classification;

- Curriculum vitae;

- Contact details for two (2) references;

- Proof of enrollment in a non-degree course (optional - proof of enrollment must be provided before the scholarship contract is awarded)

- Declaration mentioned below.

Declaration on the honor of the candidate(s) with the indication of the fellowship(s) of the typology to which the contest was held and the respective duration(s).

Applicants with academic degrees obtained abroad will be required to present a Certificate of Recognition in accordance with applicable law. This document is mandatory only in the contractualization phase.

Applications submission: Applications must be sent to the following e-mail addresses: [email protected] , [email protected] , clearly indicating the application reference “Bolsa Mestre CQC_MCF_JCM”.

Submission of applications: Between 23/11/2021 and 07/12/2021.

Submission deadline date: 07/12/2021.

Additional information: The evaluation results will be announced within 90 working days after the end of the applications submission deadline, by notifying the applicants via email. After the announcement of the results, candidates are considered automatically notified to, if they wish to do so, comment on the results on a preliminary hearing period within 10 days after that date. After this, the selected candidates will have to declare in writing their acceptance. Unless a justification worthy of consideration is presented, if the declaration is not submitted within the referred period, it is considered that the candidate waivers the fellowship. In case of resignation or withdrawal of the selected candidate, the next candidate with the highest evaluation score will be notified immediately.

Once the selection process is completed, the fellowship contract will be drawn up in accordance with the draft contract provided by the FCT.

After the contracted period, the fellowship holder and supervisor must prepare the final report in accordance with the respective assessment criteria that were established.

Selection reserve list: N.A.