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PhD position in Hamburg on proton migration in p ... (No replies)

robeme
5 years ago
robeme 5 years ago

Exciting PhD position at the Hamburg University of Technology and the German Electron Synchroton is now open for applications!

Here's a short description of this topic.

Utilizing the unique pulsed features of x-ray free-electron laser (FELs), it will become possible not only to study the structure of radiation sensitive and fragile proteins as well as complexes, but also to gain a deeper understanding of their dynamics. Going beyond well-ordered systems, it is expected that the combination of x-ray scattering and x-ray spectroscopy methods combined with advanced molecular dynamics (MD) simulations and ab-initio techniques to predict the density of states leads to real-time dynamics information about molecular migration and overall structural dynamics information of protein entities. The DASHH graduate school provides a unique opportunity to develop and optimize theoretical predictions and simulation algorithms utilizing the provided FEL and synchrotron based spectroscopic data – from small peptides up to hierarchically built-up proteins.

Requirements for this position: Master’s degree particular in physics, chemistry or materials science as well as computer science (possibly with specialization in physics- or chemoinformatics). Special knowledge in the fields of molecular dynamics simulations (e.g. with the open source software LAMMPS), density functional theory simulations (e.g. with VASP), machine learning techniques or advanced sampling methods (e.g. Umbrella Sampling or Metadynamics) is advantageous.

Please use the form on http://www.dashh.org to apply. Further information on this PhD Topic can be found on https://www.dashh.org/application/phd_topics/index_eng.html (PhD Topic 13).

I'm happy to receive your applications!




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