The Erasmus + / Higher Education 2016-1-FR01-KA103-02215 mobility project is the 3rd project of the new Erasmus + programming, submitted by Toulouse III-Paul Sabatier University. This project has been managed within the DREIC (Department of European, International Relations and Cooperation) by the the mobility division and aimed at developing European mobility for students and staff of the University. It enabled 487 mobilities (463 mobilities of students for studies and internships and 24 mobilities for teaching, research and administrative staff in training and teaching missions throughout Europe). All partipants received full recognition of their satisfactorily completed activities (transcripts, ECTS ...). This project was accessible to all the Departments of the University (Faculty of Sciences, Faculties of Health, Sport Department, IUTs ...) and to all students from Bachelor to phd. It allowed 487partipants to go abroad who would not have been able to carry out mobility without the Erasmus + program. The project has offered many advantages and opens new prospects for our students (international openness, international employability, open-mindedness and culture, acquisitions of a foreign language, etc.) and for our university staff ( Opening to courses in English, Intercultural training of administrative staff etc.).

This action supports physical and blended mobility of higher education students and staff from EU Member States and third countries associated to Erasmus+ to any country in the world. Students in all study fields and cycles can take part in a study period or traineeship abroad. Higher education teaching and administrative staff can take part in professional development activities abroad, as well as staff from the field of work in order to teach and train students or staff at higher education institutions.

Organic conjugated materials (OCMs) possess unique electronic properties compared with other traditional semiconductor materials, due to the delocalization and high polarizability of π-electrons supporting the motion of charge carriers, as well as their significant electronic correlation and electron-phonon couplings. They present a remarkable flexibility allowing to tune their optical, electronic and mechanical properties at will through molecular engineering, making OCMs most suitable for a broad range of technical applications ranging from optoelectronics, as components of light-emitting diodes, to photovoltaic cells. Rigidity and conjugation, as well as the interchromophoric geometry, play a crucial role in the primary energy transfer mechanisms along aconjugated polymer (i.e., through-bond or through-space processes). The strong coupling between the electronic and nuclear degrees of freedom leads to self-trapping and spatial localization of excitons, in a region whose spatial length is determined by conformational defects. Manipulating these nuclear degrees of freedom may lead to a blockade or an enhancement of energy transfer along the bond. Recent experiments have pointed out that in specific polymers exciton transfer is a coherent process rather than a sequence of incoherent hopping type events. The accurate description of these photoinduced pathways considering all degrees of freedom involved constitutes a challenge to date. The goal of the fellowship is to advance state-of-the-art computational methods for describing the photoinduced and laser-driven, coupled electron-nuclear dynamics of large conjugated molecules, with the aim to include quantum coherence effects and to enable predictive calculations of exciton dynamics and of energy transfer in such polymeric systems. The researcher will carry out the fellowship in the Laboratory of Collisions, Aggregates and Reactivity, University of Toulouse III, under the supervision of Dr. Nadine Halberstadt.

The general aim of this project is the development of advanced computational models that enable affordable yet accurate quantum mechanical calculations of the structure and thermophysical properties of atomic and molecular fluids adsorbed on nanostructured surfaces.The proposed method is based on the liquid density functional theory (to treat the nuclear quantum dynamics) with the first principle evaluation of the interaction forces employing state-of-the-art electronic structure methods. These models will be subsequently applied to the computational investigation of macroscopic quantum effects on the adsorption isotherms, the isotopic selectivity on adsorption, particle diffusion, etc, of helium and hydrogen fluids adsorbed in nanoporous materials. We will focus on the characterization (via computational screening) of the influence of the structural and electronic properties (e.g., the size and geometry of the pores, the specific surface area, the topology of the electronic states) on the capacities of nanom