We are inviting applications for 1-2 PhD student positions for a newly approved H2020-NMP research project ”Towards Replacement of Critical Catalyst Materials by Rational Design of Novel Transition Metal Nanoparticles (CritCat)”. The project is coordinated by the Tampere University of Technology (TUT) and it is run by a consortium of European universities, research organization, and companies. The positions are based in the Computational Physics Laboratory (M&MM group by Prof. J. Akola) at TUT, where also the PhD studies toward the degree will take place. The positions will be also affiliated in the Centre of Excellence in Computational Nanoscience (COMP) at the Aalto University (Helsinki).

The H2020 project aims to provide solutions for the substitution of critical metals, especially rare platinum group metals (PGMs), used in heterogeneous and electrochemical catalysis. The successful candidate will perform DFT simulations of bimetallic transition metal clusters on supports. Selected gas-phase reactions will be modelled on the various cluster catalyst systems and the obtained information (e.g., reaction energies, barriers, transition states, vibrational properties) will be stored in a machine-learning database for further materials screening activities. Together these theory activities comprise our rational catalyst design platform which aims to pave way for new PGM-free catalyst clusters / nanoparticles. The work will involve close collaboration with theory colleagues in the Aalto University (COMP) and a modelling software company, and the potential new catalyst clusters / nanoparticles will be validated by experiments (synthesis, characterization, performance tests).

Requirements:

The successful candidate must hold an applicable master’s degree and studies with good grades in the fields relevant for the position (physics, chemistry), and have an interest in electronic structure simulations and quantum chemistry. The candidate must have a high motivation for research, show evidence of solid written and oral communication skills, and enjoy working in an international and cross-disciplinary team. Programming skills and previous work experience with simulation methods are highly appreciated. 

How to apply:

Applications must be submitted by TUT online application form. The closing date for applications is March 21, 2016. The application form and all accompanying documentation should be in English.

See the full job announcement: http://www.tut.fi/en/about-tut/careers-at-tut/open-positions/index.htm

Further information:

The CritCat coordinator and the leader of Materials and Molecular Modelling group, Prof. Jaakko Akola at Tampere University of Technology (jaakko.akola (at) tut.fi).