Research Associate in Green Fuels (Computational)

Job summary

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

Job description

Job summary

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

Essential requirements

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

Documents

About Imperial College London

Imperial College London is the UK’s only university focussed entirely on science, engineering, medicine and business and we are consistently rated in the top 10 universities in the world.

You will find our main London campus in South Kensington, with our hospital campuses located nearby in West and North London. We also have Silwood Park in Berkshire and state-of-the-art facilities in development at our major new campus in White City.

We work in a multidisciplinary and diverse community for education, research, translation and commercialisation, harnessing science and innovation to tackle the big global challenges our complex world faces.

It’s our mission to achieve enduring excellence in all that we do for the benefit of society – and we are looking for the most talented people to help us get there.

Additional information

Please note that job descriptions cannot be exhaustive and the post-holder may be required to undertake other duties, which are broadly in line with the above key responsibilities.

All Imperial employees are expected to follow the 7 principles of Imperial Expectations: 

  • Champion a positive approach to change and opportunity
  • Communicate regularly and effectively within, and across, teams
  • Consider the thoughts and expectations of others
  • Deliver positive outcomes
  • Encourage inclusive participation and eliminate discrimination
  • Develop and grow skills and expertise
  • Work in a planned and managed way 

In addition to the above, employees are required to observe and comply with all College policies and regulations.

Imperial College is committed to equality of opportunity, to eliminating discrimination and to creating an inclusive working environment. We are an Athena SWAN Silver award winner, a Stonewall Diversity Champion, a Disability Confident Employer and work in partnership with GIRES to promote respect for trans people.