PRR Project

Summary

Tenure-track Auxiliary Researcher position aligned with the thematic lines GreenChem, in particular in the regeneration of natural resources and computational chemistry. Rationale for the position:Access to good-quality water for human use is a priority, recognized in the UN Sustainable Development Goals. The chemical stability of some pollutants poses a particular challenge in this context, due to their resistance to the implemented technologies, both at the level of treatment of wastewater and of water for human consumption. Chemical additives of generalized use, namely per and polyfluoro-based ones, have recently been related to serious health problems, agrochemicals, such as pesticides and herbicides; pharmaceuticals, including antibiotics, antidepressants, and hormonal contraceptives, and other chemicals such as plasticizers and flame-retardants, are just some examples of persistent and/or hazardous substances that are now widespread on ground and surface waters.Recent and upcoming legislation of many countries, including the EU, is frequently increasing the lists of controlled chemicals and decreasing the admissible levels of the same, prompting the development, optimization, and deployment of efficient remediation technologies. These require detailed knowledge of the thermophysical behaviour of pollutants in aqueous and other matrices for an ever-increasing number of substances to control. Therefore, computational tools able to predict relevant thermophysical in realistically chemical environments can significantly speed-up the development of efficient remediation technologies. In particular, advanced molecular modelling and simulation tecnhiques are especially relevant approach to the study of these chemicals since the used models and methodologies can be validated or optimized against a limited set of carefully chosen experimental data and then used to predict their behaviour in different conditions. Combined with the already existing critical mass in the area of regeneration of natural resources, this approach represents a particular opportunity for internal and international collaborations, increasing CQE’s leadership in the field. Tasks to be performed:Aiming to strengthen its capacity in the area of emerging and persistent pollutants, and under the scope of its GREENChem - Chemistry towards the Green Transition- thematic line (TL), CQE is looking for a research profile to study the behaviour of priority and emerging pollutants in aqueous and other relevant matrices, especially through molecular simulation and theoretical modelling, contributing to the development of technologies for cleaner water.  This position is fundamental to leverage the leadership of CQE in Computational Chemistry, an area of competence that provides unvaluable tools that will be transversally used in the prosecution of the strategic objectives of all thematic lines.Main tasks assigned to the researcher:a) Plan, coordinate and develop research work in the scientific field of regeneration of natural resources and computational chemistry, present and publish the obtained resultsb) Prepare and submit research project proposals for funding at the national and international levelsc) Establish collaborations with other academic researchers and with industry, for joint projects and knowledge transferd) Involve students in research and supervise master’s dissertations and doctoral thesese) Engage in scientific dissemination activities with peers, students, and general publicf) Create/reinforce/maintain computing resource infrastructures for research Scientific profile required:The new profile shall have a PhD in Chemical Engineering and proven expertise in the study of priority and emerging pollutants, molecular simulation, theoretical modelling, experimental measurement and assessment of bulk, surface, and transport properties of fluids, preferably in realistic environments. This expertise shall be embodied by an impactful track record and a strong experience in the mentoring and supervision of students.This profile is fully aligned both with the GREENChem TL of CQE, contributing especially to tackle the challenge of “Regeneration of Natural Resources”, but also with the overarching strategy that combines sustainability and digitalization of R&D, as computational chemistry reduces the need for potential hazardous or environmentally impactful experiments.