Job announcements relevant to people interested in electronic structure calculations…
Due to the large number of posts recently, there is currently a delay of several weeks between posts being submitted and the corresponding emails being distributed to all users. Please bear with us while we try to improve this. In the meantime – and until this notice is removed – it would assist us considerably if you could submit only important and/or urgent posts and thus help to reduce the size of the mail queue. Under no circumstances should you resend posts multiple times when you find the emails are not distributed immediately.
In light of the Russian military offensive in Ukraine, we request that announcements relating to events, jobs and other activities associated with institutions supported by the Russian and Belarusian states are not posted to the Psi-k forum.
Post-Doctoral position at CEA, Paris : XANES for ... (No replies)
Back to Job listings...
Below is a post-doctoral position available for two years at CEA, Bruyeres-Le-Chatel (30km south from Paris).
Understanding ultra-fast melting induced by laser using ab initio molecular dynamics.
In order to describe ultrafast transformations in solid induced by ultra-short laser irradiation, we need to understand the fundamental processes at a microscopic level. The goal of this post-doctoral position is to advance our understanding of non equilibrium electronic structure using ab initio molecular dynamics simulation.
The advent of femtosecond lasers has shed new light on non-equilibrium physics. The ultrafast energy absorption by electrons and the finite rate of their energy transfer to the lattice creates non-equilibrium states of matter, triggering a new class of non-thermal processes from the ambient solid up to extreme conditions of temperature and pressure. The dynamical interplay between electrons and the atomic structure is the key issue that drives the ultrafast phase transitions dynamics. Many studies have been conducted but this physics is still poorly understood.
Recently, the XANES (X-ray Absorption Near Edge Structure) absorption spectra has been developed for matter at extreme condition of temperature and pressure both theoretically] and experimentaly. From the simulation point of view, XANES spectra are computed using Ab initio electronic structure approach based on Density Functional Theory combined with molecular dynamics simulations and linear response theory. The challenge is now to adapt the description to be able to obtain precise XANES spectra for equilibrium and non equilibrium systems and then to understand the complex mechanism of phase transition
induced by an ultra-short laser pulse.
During this post-doc, you will have to run Ab initio molecular dynamics simulations on massively parallel computers to obtain the properties of two-temperatures metals. Implementation will be necessary to improve the description of XANES spectra for complex
metals. All implementation and calculation will be done with ABINIT code. All this work will be done with a 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.
Contact:
Vanina Recoules, Marc Torrent
CEA/DAM-DIF
F-91297 Arpajon Cedex
[email protected], [email protected]