Selma Engin

Experienced Researcher – Universidad Autonoma De Madrid
Nationality – French
Email – selma.engin (at)

Starting date: 01/01/2014
left project: 12/31/2014

Research topic: Theoretical study of the coupled electron-nuclear dynamics in polyatomic molecules under intense XUV/X-ray fields



Research abstract:
The purpose of my work is to describe theoretically the various vibrational normal modes in polyatomic molecules using quantum chemistry methods that can account for the multidimensional character of the vibrational motion in molecular ionization processes. This work will be used to study the attosecond dynamics in ionization of polyatomic molecules by using a realistic description of the nuclear motion.


2014 – present: Experienced Researcher, Universidad Autónoma de Madrid, Spain
2010 – 2013: PhD in Theoretical Physical Chemistry, Laboratoire de Chimie Physique – Matière et Rayonnement, Université Paris VI, France
2008 – 2010: Master of Physics, Université Paris VI, France
2004 – 2007: Licence of Physics, Université Rennes I, France

Research interests:
Computational physics, Molecular physics, Pump-probe spectroscopy

S. Engin, N. Sisourat, P. Selles, R. Taïeb, and S. Carniato, «Raman chirped adiabatic passage probed by X-ray spectroscopy» The J. of Phys. Chem. A, 117(34), 8132-8138 (2013).
S. Engin, N. Sisourat, and S. Carniato, «Ab-initio study of low-lying excited states of HCl : accurate calculations of optical valence- shell excitations» J. Chem. Phys. 137, 154304 (2012).
S. Engin, N. Sisourat, P. Selles, R. Taïeb, and S. Carniato, «Probing IR-Raman vibrationally excited molecules with X-ray spectroscopy» Chem. Phys. Lett. 535, 192-195 (2012).

Conference presentations:
ISTCP VIII, International Society of Theoretical Chemical Physics, Budapest, Hungary, August 25-31, 2013
«Probing IR-Raman rovibrationally excited HCl molecule with X-ray spectroscopies : a theoretical approach»
QSCP XVII, Quantum Systems in Chemistry and Physics, Turku, Finland, August 19-25, 2012
«Probing IR-Raman vibrationally excited molecules with X-ray spectroscopy : a theoretical approach»
Journées de la Modélisation, Paris, France, June 14-15, 2012
«Dispositif pompe IR/sonde X : Dissociation moléculaire vue par spectroscopie X»