Archive for News

A new project manager in our team

Gaëlle Rodriguez left the MARCHES team on December 2015. Therefore a new project manager was recruited : Elodie Guillon. She is responsible for the financial administration and logistics of the project. She will work within the MARCHES team from January 2016 until February 2017.

Congratulations Daniel !

H2020-PCN-MSCurie_330053.150Daniel ESCUDERO has been awarded by the Marie Sklodowska Curie fellowship for his CompOLEDs (Computational studies on materials for organic light-emitting diodes (OLEDs)) project. Congratulations !

Click here to learn more about the project

 

New Post-doc in our team

In January, 11th 2016, Anouar BELHBOUB began to work in the MARCHES project as a post-doc.
His work is part of the fourth work package (WP4: interactions of EES with a surface). His research project focuses on applying ab initio methods, for instance DFT and GW, to understand the behavior of photochromes adsorbed on semiconducting (organic and inorganic) and metallic (silver, gold…) surfaces.

Welcome to Anouar in the MARCHES team.

New Post-Doc in our team

On October, 1st 2015, Simon Budzak began to work in the MARCHES project as post-doc. His work is part of the Second Work Package (WP2: Reactivity at the EES). His main research project is to model a single excited-state surface (transition state, reaction path and IRC) in order to investigate “simple” reactions at the excited state.

Welcome to Simon in the MARCHES team.

Communication by CNRS

The Institut de Chimie of CNRS, published a communication about the results of Marches project and the publication of Denis Jacquemin and Arnaud Fihey, Designing efficient photochromic dithienylethene dyads, Chemical science, 2 avril 2015, DOI: 10.1039/C5SC00856E .
http://www.cnrs.fr/inc/communication/direct_labos/jacquemin.htm
Twitter: @inc_cnrs

New Post Doc in our team

On 3rd November 2014, Daniel Escudero Masa began to work in the MARCHES project as post-doc. His work is part of the Fourth Work Package (WP4: Interactions of EES with a surface). His research will focus on modelling photochromic molecules grafted on surfaces using various models and approaches.

Welcome to Daniel in the MARCHES team.

New Post-Doc in our team.

On 13rd October 2014, Arnaud FIHEY began to work in the MARCHES project as post-doc. His work is part of the third Work Package (WP3: Coupled EES). As David MENDIVE-TAPIA will leave the team at the end of the year for a Marie Curie project in Montpellier, Arnaud is continuing his work on the WP3. So, his research interests include the theoretical exploration of potential energy surfaces of electronically excited states in coupled photoswitches in order to unravel the different modes of interactions between the photochromic subunits.

Welcome to Arnaud in the MARCHES team.

A trainee for the WP4

On 24th February 2014, Titouan JAUNET-LAHARY began to work in the MARCHES project as Master 2 trainee. His work is part of the fourth Work Package (WP4: Interactions of EES with a surface) and will work on diarylethene switches on surfaces.

Welcome to Titouan in the MARCHES team.

New Post-Doc in our team.

On 7th October 2013, David MENDIVE-TAPIA began to work in the MARCHES project as post-doc. His work is part of the third Work Package (WP3: Coupled). His research interests include the theoretical exploration of potential energy surfaces of electronically excited states in coupled photoswitches in order to unravel the different modes of interactions between the photochromic subunits.

Welcome to David in the MARCHES team.

A new PhD student in our team

On 1st October 2013, Kathy J.CHEN began to work in the MARCHES project as a PhD student. Her work is focussed of the fourth Work Package (WP4: Interactions of EES with a surface). Her PhD deals with the theoretical study of the interactions between one photochrome (simple or multiple) and the surface of a solid.

Welcome to Kathy in the MARCHES team.

New post doc in our team

On 5th November 2012, Agisilaos CHANTZIS began to work in the MARCHES project as post-doc. His work is part of the first Work Package (WP1: A faster modelling of isolated EES). One of his major task will be to determine and apply an efficient protocol (basis sets, functionals, solvent models…) in order to accurately compute the vibrational signatures of electronically excited states, and hence the colours of the considered molecules.

 
Welcome to Agisilaos in the MARCHES team.

A new PhD student in our team

On 1st October 2012, Ymène HOUARI began to work in the MARCHES project as a PhD student. Her work is focussed of the second Work Package (WP2: Reactivity at the EES). Her PhD deals with the investigation of the excited-state proton transfers. One of her first goal is to predict the acidic behaviours under irradiation.

Welcome to Ymène in the MARCHES team.

New Post-Doc in our team.

On 16th april 2012, Azzam CHARAF-EDDIN began to work in the MARCHES project as post-doc. His work is part of the first Work Package (WP1: A faster modelling of isolated EES).  His major task will be to simulate vibronic couplings.

This includes both the applications, the development of a standard computational protocol, and more importantly, the implementation and use of TD-DFT Hessian.  This extension of TD-DFT  should allow to compute vibrational frequencies for electronically excited molecules much more efficiently.
Welcome to Azzam in the MARCHES team.