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Post Doctoral position on material design at the ... (No replies)

ivano
6 years ago
ivano 6 years ago

The position is founded by the Swiss NCCR MARVEL, the center on Computational Design and Discovery of Novel Materials created by the Swiss National Science Foundation in 2014.

The focus of this project is on the study and the characterisation of the photophysical properties of Metal-Organic Frameworks (MOF) for applications in photocatalysis and water splitting. The approach will be based on numerical simulations of static and dynamical properties of photoexcited MOF using first-principle techniques (post Hartree-Fock and DFT/TDDFT based). Particular emphasis will be given to the design of new descriptors for the characterisation of the photochemical processes of interest and their applications in high throughput screening.

The project will be carried out at the IBM Zurich Research Laboratory in Rüschlikon (Switzerland) in collaboration with the group of Prof. Berend Smit at EPFL (Sion, Switzerland), specialised in the synthesis and characterisation of new MOF structures, and several other theoretical/computational groups within MARVEL based at EPFL (Sion and Lausanne) and at the university of Zurich.

The position requires a PhD in computation/theoretical chemistry/physics or related fields. The candidate needs to have a good knowledge in adiabatic and nonadiabatic molecular dynamics simulations, good expertise in coding, and strong writing skills.

The position will open immediately for a duration of one year and with the possibility of an extension for two more years.

To apply, please send a cover letter with a summary of research expertise and a CV to: [email protected].

More details about the position are available upon request.




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