Research Projects
ICIQ offers ten positions at the research groups of:
- Prof. Pau Ballester ( Ref PhD 2021-01)
- Prof. Carles Bo (Ref PhD 2021-02)
- Prof. Antonio M. Echavarren ( Ref PhD 2021-03/04)
- Prof. Núria López ( Ref PhD 2021-05/06)
- Prof. Feliu Maseras (Ref PhD 2021-07)
- Prof. Marcos G. Suero (Ref. PhD 2021-08/09/10)
The projects offered by the supervisors are the following:
Supervisor: Prof. Pau Ballester
https://www.iciq.org/research/research_group/prof-pau-ballester/
Molecular containers with polar cavities and versatile functions
Number of positions: 1
Reference: PhD 2021-01
Description of the project:
The group of Prof. Ballester is looking for a highly talented and motivated national or international student who wish to do their PhD under optimum conditions in a modern and stimulating environment, equipped with high-level instruments and technological resources. In partnership with the Universitat Rovira i Virgili (URV), ICIQ offers the PhD program “Chemical Science and Technology”. The candidate will mainly work on the synthesis and characterization of molecular receptors and sensors and will evaluate their affinity and selectivity towards different substrates. The main targeted applications for the prepared containers include molecular recognition, sensing, transport of molecular cargo through lipophilic membranes, and supramolecular catalysis.
Preferred skills or background:
Master’s degree in Chemistry.
Good communication skills
Good level of spoken and written English
High motivation for scientific research
Excellent academic transcripts
Valuable assets:
Strong commitment for scientific research,.
Capable of working in a team
Creative thinking and problem solving
Effective organization skills
Reliable in meeting commitments and deadlines
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Supervisor: Prof. Carles Bo
https://www.iciq.org/research/research_group/prof-carles-bo/
New computational methods for complex reactive systems
Number of positions: 1
Reference: PhD 2021-02
Description of the project:
This project will focus on the development of our new simulation methods (Chem. Sci. 11, 8448–8456 (2020)) and their application to the study of complex reaction networks such as those involved in the formation of metal-oxo nanoclusters. These systems find interesting applications in catalysis and energy related fields.
Preferred skills or background:
Master degree in Chemistry (Computational Chemistry background), Chemical Engineering, Physics, Computer Science or related fields.
Valuable assets:
Programming skills (Python is a must), good communication skills in English, team work abilities.
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Supervisor: Prof. Antonio M. Echavarren
https://www.iciq.org/research/research_group/prof-antonio-m-echavarren/
Design and Synthesis of Chiral Metallofoldamers
Number of positions: 2
Reference: PhD 2021-03/04
Description of the project:
Design and synthesis of mono- or polymetallic complexes for the controlled folding and cyclization of unsatured substrates.
Preferred skills or background:
Bachelor and Master degrees in chemistry with a background in organic chemistry. A high level of English is required.
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Supervisor: Prof. Núria López
https://www.iciq.org/research/research_group/prof-nuria-lopez/
Project: Machine learning for Catalysis and Electrocatalysis
Number of positions: 2
Reference: PhD 2021-05/06
Description of the project:
The two projects are related to the use and applications of Machine Learning techniques to the study of materials with interesting properties as thermal Catalysts or under Electrochemical Conditions. The two projects will be dedicated to: (i) single atoms in oxides (Nature Mat. 2019); (ii) tools in automatization and machine learning fundamentals (ACS Catal. 2020)
Preferred skills or background:
Scientific background: Physics; Applied Mathematics; Physical Chemistry; Chemical Engineering
Programming: Python, or others
Languages: English
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Supervisor: Prof. Feliu Maseras
https://www.iciq.org/research/research_group/prof-feliu-maseras/
Project: Computational mechanistic study of homogeneous nickel catalysis
Number of positions: 1
Reference: PhD 2021-07
Description of the project:
Palladium is probably the most efficient transition metal for a number of highly applied reactions such as cross-coupling and arylation. Nickel should have similar properties, and is cheaper and less toxic, thus greener and more sustainable. However, preliminary studies in our group and others indicate significant differences between both metals. We intend to explore them systematically with DFT and DFT/MM methods.
Preferred skills or background:
B.Sc. + Master in Chemistry or related matter
Valuable assets:
Experience/interest in computational chemistry
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Supervisor: Prof. Marcos G. Suero
https://www.iciq.org/research/research_group/dr-marcos-g-suero/
Project: Carbyne Transfer Catalysis in Organic Synthesis.
Number of positions: 3
Reference: PhD 2021-08/09/10
Description of the project:
The art of organic synthesis and reaction discovery relies on logic-guided thought processes that often involve hypovalent carbon reactive species and their corresponding stabilized equivalent forms. However, not all of the possible carbon reactive intermediates and their reactivity rules have attracted the same attention by the synthetic community. This is mainly because of the perception of the lack of synthetic utility and importantly, because of the challenges associated with controlling its extreme reactivity and lack of efficient sources. The main goal of this project is to invent and develop new chemical reactions based on equivalents of carbyne species –the monovalent carbon species–, and exploit them as molecular editing tools to reach previously unattainable chemical space with applications in natural product synthesis, organometallic chemistry, late-stage functionalization of complex molecular architectures, PET imaging and material science. Our initial works on carbyne equivalent generation and metal-carbynoids were recently published (Nature 2018, 554, 86; JACS, 2019, 141, 15509).
Preferred skills or background:
We are looking for top-caliber PhD students with a Bachelor and Master Degrees in chemistry and a background in synthetic organic chemistry, catalysis or organometallic chemistry. The student will work in a state-of-the-art laboratory equipped with advance analytical tools (GC-MS, UHPLC-MS, SFC-MS), automated flash chromatography systems, photoreactors, electrochemistry kits, high-throughput experimentation facilities, etc.
Valuable assets:
Experience in organometallic chemistry photochemistry, photocatalysis, metal-catalyzed C–H bond functionalization, radical chemistry or asymmetric catalysis.