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PhD position on simulations of solvated electron ... (No replies)
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The Chair of Theoretical physics of electrified liquid-solid interfaces at the Faculty of Physics and Astronomy of Ruhr University Bochum, Germany is offering a
PhD position on simulations of solvated electrons, within the framework of the CRC1316 Transient Atmospheric Plasmas: From Plasma to Liquid to Solids.
Aim of this project is the structural and dynamical characterization of the solvated electron in the presence of applied electric fields, in different environments, including liquid interfaces in contact with a conducting or insulating solid.
The solvated electron is a specie which is central to field of plasma/liquid and plasma/solid/liquid interfaces as the primary reducing agent which is produced at plasma electrodes in contact with a liquid.
Although the solvated electron has been subject of intensive experimental and theoretical investigation under equilibrium conditions, its properties in the presence of electric fields, are still quite unexplored.
Here we plan to use atomistic molecular dynamics simulations including the electronic structure to understand the impact of electric fields on the structure and dynamics of the solvated electron. Ab initio molecular dynamics simulations, where the forces are calculated using hybrid functionals, have been shown to be not only quite accurate in reproducing electronic properties of heterogenous systems, but to be within reach for systems on the nanometer scale which is the relevant scale of the fundamental processes occurring at the metal/water and the oxide/water interfaces.
Our project is expected to shed light on properties of solvated electron under non equilibrium conditions, in a variety of different environments which are of relevance to the SFB1316.
Prerequisites:
• degree in physics, chemistry or materials science, with very good results, in the field of theoretical condensed matter, theoretical or computational chemistry, physical chemistry
• very good knowledge in quantum mechanics and statistical mechanics.
• experience with molecular dynamics and/or Monte Carlo simulations and scripting languages (e.g. python) is a plus.
• fluent written and spoken English
As a student you will be part of the CRC1316 Graduate School Solvation Science (iGSS), which offers a graduate program combining cutting-edge research with a curriculum of lectures, colloquia, and workshops, augmented by international experiences. Doctoral students will be employed for three years and will be paid according to public service’s wage agreement (up to E13 TV-L, 75%).
Please submit your application (motivation letter, CV, diplomas, transcripts with grades, contact details for a reference letter) via email to [email protected].
Application deadline: January 15th, 2024.