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Two PhD positions at the University of Barcelona (No replies)

stb123
8 years ago
stb123 8 years ago

The Computational Materials Science Laboratory (CMSL), within the Physical Chemistry Department (QF) and the Institute of Theoretical and Computational Chemistry (IQTC) at the University of Barcelona (UB) has funded openings for two motivated students to carry out a PhD in theoretical and computational chemistry in each of the following research areas:

- Rational Design of Heterogeneous Catalysts:  Using ab initio simulations of surface, cluster, and nanoparticles models to design and understand new catalytic materials (e.g. carbides, transition metal nanoalloys) for CO2 capture and reuse - helping the fight against global warming and climate change.

- Study of Photocatalytic Systems: Using ab initio simulations of surface, cluster, and nanoparticle models of photoactive oxides (e.g. titania, ZnO) to help understand environmentally important light-triggered chemical reactions - in particular, the use of solar light as clean energy source for generating H2 as a green fuel.

The CMSL offers a stimulating and international working environment, access to cutting-edge computational modelling resources, opportunities for short visits to to collaborating partners (UK, USA, Germany, Italy, France, India, Mexico, Thailand, South Korea), and participation in symposia and congresses at both national and international level.

Candidates must have a degree in chemistry, physics, materials science (or related area), and either have, or be in the process of finishing, a relevant Master's degree. Although not a requirement, previous research experience and/or knowledge of one or more of: photochemistry, heterogeneous catalysis, computational simulations, spectroscopic techniques on materials and surfaces, solid state physics would be an advantage.

Please send your full curriculum vitae in pdf format to: 

Prof. Francesc Illas ([email protected])




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