Research Associate in Green Fuels (Computational)
A post-doctoral Research Associate position is available at the Department of Chemistry, Imperial College London with Professor Patricia Hunt. You will investigate and develop novel green fuels based on ionic liquids (IL) and deep eutectic solvents (DES). This post is computational in nature, and will involve quantum chemical calculation of ions, ion-pairs and clusters of ILs and DES. You will analyse conformers, investigate electronic...
Job listing information
- Reference NAT00332
- Date posted 20 November 2018
- Closing date 23 December 2018
A post-doctoral Research Associate position is available at the Department of Chemistry, Imperial College London with Professor Patricia Hunt.
You will investigate and develop novel green fuels based on ionic liquids (IL) and deep eutectic solvents (DES). This post is computational in nature, and will involve quantum chemical calculation of ions, ion-pairs and clusters of ILs and DES.
You will analyse conformers, investigate electronic structure and bonding (MOs, QTAIM, NBO, ChelpG, NCIPlot), and compute reaction paths to elucidate reaction mechanisms.
Duties and responsibilities
Development of novel green fuels based on ionic liquids (IL) and deep eutectic solvents (DES)
To develop, based on computational studies, new high performance and less toxic green fuels
Computational characterisation of decomposition mechanisms for existing fuels
Quantum chemical study of structures, bonding and reaction mechanisms
PhD in Physical Chemistry or a related Physics, Materials or Engineering discipline, or equivalent experience
Experience using Quantum Chemical methods (DFT and post HF)
Experienced in working in a Unix/Linux environment
About Imperial College London
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