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Multiple Postdoctoral Positions in First Princip ... (No replies)

ezurek
2 years ago
ezurek 2 years ago

Multiple postdoctoral positions are available at the University at Buffalo, SUNY, in the groups of Jochen Autschbach (https://ja01.chem.buffalo.edu/) and Eva Zurek (https://www.acsu.buffalo.edu/~ezurek/). Please email inquiries regarding these positions to [email protected] and indicate your project preference(s) and relevant experience. If it appears that we have compatible research interests we will subsequently ask you to arrange for two letters of recommendation from current
and former research supervisors.

Dr. Autschbach's research requires solid knowledge and experience in computational chemistry. An ideal candidate has first-hand experience with multiconfigurational wavefunction calculations or relativistic DFT or molecular property calculations, or experience with method development and programming. The potential topics include:
- Computational f-element chemistry & spectroscopy (lanthanides or actinides)
- NMR of metal complexes (the project has a machine-learning component)

Dr. Zurek is looking for a postdoctoral associate interested in materials discovery, matter at extreme conditions of pressure and temperature, superhard or quantum materials. The postdoctoral fellow will carry out first-principles calculations to understand extreme chemistry, and study the revolutionary properties of these materials, in close collaboration with leading experimentalists in static and dynamic compression.

The project can entail one (or a combination) of the following:
- development and/or application of algorithms for crystal structure prediction
- first-principles molecular dynamics simulations of matter at conditions of extreme temperatures and pressures
- studies of the chemical bonding and properties of compressed matter
- calculation of superconducting properties of hydrogen rich compounds
- development and/or application of machine learning towards materials discovery

Review of applications will begin immediately and continue until the positions are filled. The initial contract will be for one year, with a possible extension upon mutual agreement. A PhD in computational chemistry, solid state physics, materials science, or a closely related area is required. Good communication and writing skills in English are required.

Buffalo is a lively city located in the western part of the State of New York, USA, near the Canadian border. The greater Buffalo area has a population of about a million. There are many local attractions, galleries and museums, annual events and festivals, and recreational sites within easy reach. E.g. the nearest skiing resorts as well as the Niagara Falls are reached by car within 30 to 45 minutes. During the winter we are blessed with descent amounts of good quality snow for
winter sports. Across the Canadian border, Toronto is close enough for a day trip.




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Ab initio (from electronic structure) calculation of complex processes in materials