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Postdoc in Quantum Mechanical Simulations for Tr ... (No replies)
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Dear All,
A 2-year postdoc position, with an option to a third year, will be available at the Technical University of Denmark starting October 2023 (see the announcement below).
If you are in contact with Ph.D. students looking for a postdoc position, please don't hesitate to forward them the announcement.
Anybody interested can write to me ([email protected]) or Ivano Eligio Castelli ([email protected]).
Many thanks!
Best wishes,
Juan Maria Garcia Lastra
Postdoc in Quantum Mechanical Simulations for Transfer Phenomena at the Battery Interface – DTU Energy (see job advertisement at https://www.dtu.dk/english/about/job-and-career/vacant-positions)
The successful candidate will develop methodologies to investigate electronic and ionic transfer mechanisms at battery interfaces. By combining Density Functional Theory (DFT) methods with related techniques, such as constraint-DFT (cDFT), ab initio molecular dynamics (AIMD), Time-dependent DFT (TD-DFT), and Many-Body Perturbation Theory methods, the candidate will study charge transfer mechanisms in battery cathode related materials, such as LiCoO2, LiMnO2 , or LiFePO4 and the interfaces of these materials with liquid electrolytes.
This position is part of the Horizon Europe project "Capturing Ultrafast Electron and Ion Dynamics in Batteries (UltraBat)". The successful candidate will thus work in close synergy with experimental experts in batteries (CNRS), core level spectroscopies (DTU Physics, XFEL), vibrational spectroscopies (CNRS), and nuclear magnetic resonance (CNRS). A core competence of this postdoctoral position is being able to help with the interpretation and peak assignment from the different mentioned spectroscopies.
Moreover, the project will be linked to other ongoing projects in the Department of Energy working on accelerated discovery for clean energy materials, such as BIG-MAP (Battery Interface Genome – Materials Acceleration Platform, http://www.big-map.eu) and BATTERY 2030+ (http://www.battery2030.eu).