Beamline / Project / Activity description The
CHIRAX project () funded by the European Research Council aims at implementing steady-state and time-resolved X-ray spectroscopy of chiral molecules in solution using circular and helical dichroism.
The steady-state part is carried out at synchrotrons, while the time-resolved ones will exploit both synchrotrons and XFELs.
The
CHIRAX team has several strong national and international collaborations with theoreticians.
Job description The successful candidate will perform electronic structure calculations to predict chiral signals from X-ray absorption and chiral (circular and helical dichroism) spectroscopies, as well as nonlinear optical/X-ray methods of molecules in solution using ab initio quantum chemistry packages.
Such chiral signals often involve multipoles of higher orders than the usual transition electric dipoles and their accurate computation is indispensable.
The successful candidate is expected to foster ongoing collaborations of the
CHIRAX team with theoreticians and develop new ones.
Elettra Sincrotrone Triestepossesses computational facilities, but access to larger external facilities is also foreseen.
Specifically, the successful candidate is expected to apply for computation time at national and international computational facilities such as the University of Trieste,
CINECA and the Molecular Foundry.
Analysis of results, writing-up of reports and papers, presentation at conferences and workshops is expected.