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Opis:
Title of the position: PhD student in Chemical and Biological Systems Simulation Lab
Scientific discipline: chemistry
Job type: Scholarship
Number of job offers: 1
Remuneration/Stipend amount/month: 3000 PLN/month
Position starts on: 01.09.2019
Maximum period of contract/stipend agreement: 2 years
Institution: Chemical and Biological Systems Simulation Lab
Project leader: dr hab. Bartosz Trzaskowski
Project title: Anionic, cationic and mesoionic analogues of N-heterocyclic carbenes in homogenous catalysis
Project Description: The main goal of this research project is a systematic study of selected, non-standard carbenes and their potential use in homogenous chemical catalysts directed toward better understanding of the fundamental aspects of their action. The main part of this project consists of the design and modelling of new anionic, cationic and mesoionic N-heterocyclic carbene derivatives, which can be used as transition metal complexing agents to produce new catalysts. We will focus on ruthenium-based complexes as candidates for efficient metathesis, hydrogenation, transfer hydrogenation and hydrosilylation catalytic reactions. For these complexes we will computationally explore all possible catalytic reactions paths and degradation paths and select the best candidates for efficient catalysts for the synthesis.
Key responsibilities include:
1. Design and modelling of electronic properties of carbenes and transition metal complexes
2. Analysis of the obtained data
3. Active participation in lab meetings, scientific seminars and international conferences.
4. Participation in the data preparation and writing of manuscripts.
Profile of candidates/requirements:
1. Current PhD student in chemistry, physics or related fields of Polish university (or about to become a PhD student by the end of October 2019)
2. MSc degree (or equivalent) in chemistry, physics or related fields (or about to graduate until end of September 2019)
3. Experience with high-performance computing and Linux environment is welcome
4. Previous experience in molecular modelling (particularly ab initio simulations) is welcome
5. Knowledge of computational and quantum chemistry is welcome
6. Good writing and oral communication skills in English
Required documents:
1. CV and cover letter
We offer:
1. An opportunity to participate in a multidisciplinary project in one of the best scientific institutions in Poland
2. Stimulating, young and friendly work environment
3. Access to high-end computing equipment (CPU clusters)
Please submit the following documents to: Please send your application to: trzask@cent.uw.edu.pl
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- The Controller of your personal data is the University of Warsaw with its registered office at KrakowskiePrzedmieście 26/28, 00-927 Warszawa;
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Termin nadsyłania aplikacji: 30/08/2019
Załącznik: pobierz
Słowa kluczowe: metathesis, modelling
