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Ph.D. (f/m/d) in Bologna on 'Polarons in Fe ... (No replies)
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We invite applications for a Ph.D. position on ab initio modeling of polarons effects on (incipient) ferroelectric surfaces. This Ph.D. project aims to study the formation and dynamics of polarons on ferroelectric surfaces and their interaction with adsorbates. The long-term goal is to identify efficient polaron-mediated water-splitting processes. The computational modeling will involve first principles DFT methods (VASP) augmented by machine learning schemes (Machine learned force fields and 4G Neural Network potentials combined with in-house AI codes).
The Ph.D. student will integrate the group of Cesare Franchini at the University of Bologna (Italy) and work in close collaboration with the partner group at the University of Vienna.
The research will be conducted in close collaboration with the experimental surface science group of Martin Setvin in Prague.
Skills/Qualifications:
- Master's degree in Physics, Chemistry, or a related field
- Good knowledge of solid-state physics and surface science
- Prior experience in computer simulations, preferably ab initio
References:
Competing electronic states emerging on polar surfaces, Nature Communications (2022)
Surface chemistry on a polarizable surface: Coupling of CO with KTaO3(001), Science Adv (2022)
Polarons in materials, Nature Review Materials (2021)
Interplay between Adsorbates and Polarons: CO on Rutile, Phys. Rev. Lett. (2021)
Polarity compensation mechanisms on the perovskite surface KTaO3 (001), Science (2018)
Temperature-dependent anharmonic phonons in KTaO3, https://arxiv.org/abs/2209.12036
Alma Mater Studiorum, University of Bologna:
The University of Bologna is the oldest in continuous operation worldwide, the top university in Italy, and is commonly ranked among the top places of European and international rankings.
The University of Bologna is located in the beautiful city of Bologna, the capital and largest city of the Emilia-Romagna region in Northern Italy. The city has a large student population that gives it a cosmopolitan character. In 2000 it was declared the European capital of culture. In 2021 UNESCO recognized the lengthy porticoes of the city as a World Heritage Site.
How to apply:
To apply, please send a letter of interest, CV, transcript of courses and grades, and
names of two references in one-single PDF file to [email protected]
Starting date:
Beginning of 2023