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Postdoctoral position in ab initio simulation fo ... (No replies)

vaninar

3 years ago

vaninar 3 years ago

The study of Warm Dense Matter (WDM) is a challenging field that is at the crossroads between condensed matter and plasma physics. XANES (X-ray Absorption Near Edge Structure) is a standard technique in condensed matter physics measurements which brings valuable information on electronic and ionic structure. This technique was recently extended to WDM regime.  A precise description of X-ray absorption spectrum is a key diagnostic to follow the complex mechanism of phase transition both theoretically and experimentally. XANES absorption are computed using Density Functional Theory  within the framework of Projected Augmented-Wave and linear response theory. This description makes use of frozen core approximation which severely limit the description for extreme pressure condition (~100GPa and above). The challenge is now to go beyond the frozen core approximation keeping in mind that an all electrons calculation is numerically out of reach for this extreme condition.

 

The candidate will have to implement new solutions to improve the description of XANES spectra for extreme conditions. He/She will have to run DFT based molecular dynamics simulations on massively parallel computers to obtain the properties of metals in extreme pressure (T>10000K) and temperature (P>100GPa). Implementation and calculation will be done with ABINIT code. This project is done in close interaction with experimental teams.

The candidate must have a strong expertise in solid states physics. He or she should have an experience in ab initio molecular dynamics simulation. A good knowledge on programming is also necessary (Fortran, MPI, Linux, Python).

The work location is CEA/DAM Ile de France, near Arpajon (South Paris)

Candidate should send a CV to [email protected] or [email protected]