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Postdoctoral position in computational modelling ... (No replies)

j.kohanoff
6 years ago
j.kohanoff 6 years ago

The postdoc is part of the “ThermoConc: Thermoelectric Concrete Envelope” project funded by US-Ireland R&D partnership, a tri-jurisditional alliance based in Northern Ireland, Republic of Ireland, and the USA. The partnership involves Prof. Jorge Kohanoff and Dr Lorenzo Stella in the School of Mathematics and Physics at Queen’s University Belfast, Dr Niall Holmes in the Civil Engineering department at the Dublin Institute of Technology (DIT), Prof. Ming Qu at the Lyles School of Civil Engineering and Prof. Kazuaki Yazawa in the Birck Nanotechnology Center, Purdue University (PU), and Prof. Hongxi Yin in the Sam Fox School of Design and Visual Arts, Washington University in St. Louis (WUSL).

 

The use of fossil fuels to cool buildings has a significant cost both in monetary terms and in the release of greenhouse gases.  Globally, buildings account for 32% of global energy use and almost 10% of energy-related CO2 emissions. As almost 60% of energy consumption worldwide is lost as heat, there is a growing need for buildings to maximise their potential energy harvesting, distribution, storage and efficient usage. This research will make use of these unavoidable loses to generate free electric power, using thermoelectric units, which convert heat into electricity. This paves the way to a new, unexpected source of renewable energy that is hidden very close to us.

 

The postdoctoral research fellow based at QUB will undertake basic research activities within the field of computational modelling of thermoelectric transport processes in cement, especially in the vicinity of metallic fibres. The successful candidate will set up and carry out simulations using first-principles DFT approaches, interpret and analyse the results. The research fellow will utilise and further develop a methodology to obtain transport coefficients from DFT results, using Boltzmann’s equation. The method will be developed to interface microscopic models with finite element macroscopic models of full bricks.

 

Applicants should have a PhD in Physics, Chemistry, Engineering, or related subject. They must be in possession of the qualification by the commencement date. Experience in electronic structure methods and computer simulation is essential. In particular, experience in DFT simulations of complex materials, especially cement, is highly desirable. Experience in calculation of thermoelectric properties of materials and transport calculations using the Boltzmann’s equation is also desirable.

 

The candidate will be based at Queen University Belfast, and will develop a collaborative relationship with partners at DIT (Dublin, RoI), Purdue University (Indiana, USA), and Washington University in St. Louis (Missouri, USA). The successful candidate is expected to travel to meet the partners as required.

 

Applicants should complete an online application form, available from the following website: http://www.qub.ac.uk/sites/QUBJobVacancies/, providing an up-to-date CV, a letter of motivation, and the names and contact details of at least three academic referees.

 

Informal enquiries may be directed to Dr Lorenzo Stella ([email protected]), Dr Piotr Chudzinski (p.chudzinski@qub.ac.uk), or Prof. Jorge Kohanoff ([email protected])

 

Salary scale: £33,199 - £39,610 per annum (potential to progress to £43,266 per annum through sustained exceptional contribution)

 

Closing date: Friday 25th September 2018




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Ab initio (from electronic structure) calculation of complex processes in materials