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PhD studentship in Computational Materials Disco ... (No replies)

2 weeks ago
ben 2 weeks ago

Applications are invited for a 4 year PhD position to work in the group of Professor Furio Cora, Ben Slater and Dr Martijn Zwijnenburg in the Department of Chemistry at University College London. The project is adjunct to a prestigious EPSRC Programme Grant(led by Prof Matt Rosseinsky FRS and Prof Andy Cooper FRS at the University of Liverpool), to work in a multidisciplinary team and develop integrated computational/experimental approaches to materials discovery. The project will focus in particular on the application of quantum chemical methods to study new functional materials and their properties, develop descriptors for accelerated computational screening, and liaising with colleagues in Liverpool to integrate the computational work with synthesis and measurement studies. The specific area of current research concerns advancing the thermoelectric figure of merit of complex solids through computational evaluation of known and virtual materials, and developing new descriptor-based and potentially machine learning approaches.


Informal enquiries should be addressed to Professor Furio Cora ([email protected]) or Prof Ben Slater ([email protected]). Any queries on the application process can be directed to Jadranka Butorac [email protected], as we wish to encourage online applications.

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