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PhD in Computational Modelling at the Atomic Sca ... (No replies)
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CIC energiGUNE (Vitoria, Spain) offers the opportunity to complete a PhD in the field of Computational Modelling at the Atomic Scale of Electrolyte Dynamics. The offer is aimed at motivated students who have good academic records and are ready to carry out a challenging and exciting 3-year applied research project. The project involves density functional theory calculations and ReaxFF-based molecular dynamics simulations, which will enhance our atomistic understanding of liquid and solid electrolytes of interest for next-generation battery technologies. The simulations will focus on ionic transport, electrolyte-electrode interactions, and aging mechanisms for different chemistries in battery systems. The project will be carried out in close collaboration with other CIC-based and international experimental partner laboratories and will aid the atomistic interpretation of novel solvation experiments and electrochemical measurements.
Candidate’s expected profile
We are searching for a highly motivated and independent researcher with a Master degree in Physics, Chemistry, Materials Science or other related topics. Students who expect to obtain their Master degree before September 2019 can also apply.
Good knowledge in quantum mechanics and statistical mechanics is expected and interest in writing computer code (e.g., Python) is an asset.
Experience with interatomic potentials for molecular dynamics simulations is desirable, but not essential.
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 with machine learning algorithms 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 very good command of English.
Recent works of the group on the field
https://doi.org/10.1016/j.joule.2019.05.003
https://doi.org/10.1002/anie.201813700
https://doi.org/10.1021/acsami.9b01484
https://doi.org/10.1002/aenm.201900763
https://doi.org/10.1021/acsami.8b17217
https://doi.org/10.1107/S1600576718018484
For full consideration, please apply by close of business on August 2019. Interested candidates should submit i) a cover letter detailing specific experience and scientific interests; ii) the CV; and iii) contact information of at least three references to Javier Carrasco ([email protected])