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1 PhD position in the field of computational het ... (No replies)

8 months ago
aleixcv 8 months ago

We Offer

1 Ph.D. position available at the Department of Chemistry of the Autonomous University of Barcelona (UAB), Catalonia, Spain. The applicant(s) will work on CO2 conversion processes and/ or the upgrade of hydrocarbons in the field of heterogeneous catalysis by means of computational chemistry and machine learning approaches. The research fellow will closely be interacting with experimental research leaders in the field from ETH Zurich.

You can find information about our recent publications on:

And about our research activities here:

The position is to start by mid-2020 approximately. Deadline: 15.10.19 October but apply asap if you are interested. 4 year position related to a project grant.

Qualification requirements

We are searching for a highly motivated and independent researcher with a Master degree in Physics, Chemistry, Materials Science or other related topics.

Good knowledge in quantum mechanics, statistical mechanics, and computational chemistry is expected and interest in writing computer code (e.g., Python) and shell scripts will be considered.

Knowledge and Experience in first-principles calculations, molecular dynamics techniques, heterogeneous catalysis, and surface science will be beneficial.

Experience with density functional theory methods, such as electronic structure calculations using VASP, Quantum Espresso, FHI-aims and/or similar packages is an advantage.

Basic experience/knowledge in machine learning algorithms and/or network science is an advantage.

The candidate should also be able to work independently and as part of a highly ambitious research team, as well as have a very good level of English: both oral and written.

He/she should be a good team player who can collaborate with other scientists. Highly motivated person and interested in research. Perseverant. She/he will be incorporated into a multidisciplinary team.

Candidates can submit their application including, CV, academic record and contact in order to ask for a reference letter to Dr. Aleix Comas-Vives

e-mail: [email protected]

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