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PhD in Modelling and in-silico Screening of Comp ... (No replies)
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Topic: Development and application of DFT calculations, enhanced sampling molecular simulations, and utilisation of machine-learned interatomic potentials to improve the atomistic understanding of composite electrolytes based on polymer matrices and inorganic fillers for solid-state batteries. The implementation of newly developed numerical techniques and computational models/approaches in the in-house software packages as well as in popular open-source software codes will be important part of this research. The simulations will focus
on studying ionic transport through solid-solid interfaces. The research will be performed at the Modelling and Simulation in Life and Materials Sciences group (Prof. Elena Akhmatskaya) at the Basque Center of Applied Mathematics (Bilbao, Spain) and at the Modelling and Computational Simulation Group (Prof. Javier Carrasco) at CIC energiGUNE (Vitoria, Spain).
Scientific profile: The preferred candidate will have a good knowledge in quantum mechanics and statistical mechanics and be able to write computer codes in Python, C++ or Fortran and shell scripts. Experience with DFT methods, such as electronic structure calculations using VASP, Quantum Espresso, FHI-aims or similar packages is also required. Background in atomistic
simulation methods such as Molecular Dynamics and/or Monte Carlo applied to solid-state materials is highly desirable. Experience with interatomic potentials for molecular dynamics simulations and basic knowledge of machine learning methods and Bayesian analysis at user
level would be desirable, but not essential.
Requirements: We are searching for a highly motivated and independent researcher with a Master degree in Physics, Chemistry, Materials Science or other related topics. The preferred candidate will possess good interpersonal skills, will demonstrate ability to present and publish research outcomes in spoken (talks) and written (papers) form. The candidate should be able to work independently and as part of two highly ambitious interdisciplinary research teams, as well as have very good command of English.
Contract and offer: 3 years (1+1+1), supported by the Basque Government via the IKUR High Performance Computing & Artificial Intelligence Initiative.
Deadline: March 10th, 2023 14:00 CET
How to apply: Applications must be submitted on-line at:
http://www.bcamath.org/en/research/job/ic2023-02-phd-in-modelling-and-in-silico-screening-of-composite-electrolytes-for-next-generation-lithium-batteries
Further information: http://www.bcamath.org/documentos_public/archivos/ofertas/IC2023_02_IKUR_AKHMATSAKAYA.pdf