Archive for EVENTS

Seminars: 21/09/2016-15/12/2016

In CEISAM, within the ModEs Team (Modeling and Spectroscopy), each week the researchers participate in small seminars (maximum 20 minutes followed by questions). The members of MARCHES team participate to these events.

In 2016/2017, seminars are held each Thursday at 12:30 AM in Marie Curie room and are organized by Cloé Azarias.

21 September 2016: David LOFFREDA (Research Director, Laboratoire de Chimie, ENS de Lyon) – “Relations Composition-Stabilité pour les Nanoparticules Bimétalliques Ordonnées et Mixtes AuCu et PtNi”.

21 September 2016: Kathy CHEN (PhD, CEISAM Laboratory, team ModEs) – PhD defense ”Ab Initio Modeling of the Interactions Between Photochrome and Surfaces”.

29 September 2016: Daniel ESCUDERO-MASA (Post-Doc, CEISAM Laboratory, team ModEs) – “Revising Intramolecular Photoinduced Electron Transfer (PET) from First-Principles”.

6 October 2016: Ciro GUIDO (Post-Doc, CEISAM Laboratory, team ModEs) – “The importance to be State Specific: from continuum to discrete models.”

13 October 2016: Rui SOUSA (PhD, CEISAM Laboratory, team ModEs) – “Unraveling the Catalytic Mechanism of Sulfotransferases on the Context of the Herpes Simplex Virus Type I Infection”.

17 October 2016: “Journée du Pôle Ouest du Réseau Français de Chimie Théorique”, Rennes.

19 October 2016: Dimitru Claudiu SERGENTU (PhD, CEISAM Laboratory, team ModEs) – PhD defense ”Geometries electronic structures and physico-chemical properties of astatine species: An application of relativistic quantum mechanics”.

20 October 2016: Ria BROER (Professor, Zernike Institute for Advanced Materials, University of Groningen) – ”The effects of electron correlation and relativity on the mechanisms of spin crossover in Fe(II) complexes”.

10 November 2016: Elodie GUILLON (Project Manager, CEISAM Laboratory, team ModEs) – “Le métier de chargé de projets européens et le montage de projets ERC”.

14 November 2016: RFI LUMOMAT’s event, Angers.

17 November 2016: Anouar BELHBOUB (Post-doc, CEISAM Laboratory, team ModEs) – ”Adsorption of spiropyran molecular switches onto titanium dioxide surfaces”.

24 November 2016: Nicolas GALLAND (Assistant professor, CEISAM Laboratory, team ModEs) – ”Unraveling the spin-orbit coupling effects on the chemical bonding”.

1 December 2016: Titouan JAUNET-LAHARY (PhD, CEISAM Laboratory, team ModEs)-“Molecular Dynamics investigation of HSA binding sites”.

8 December 2016: Simon BUDZAK (Post-Doc, CEISAM Laboratory, team ModEs)-”The modelling of solvent effects on excited states with Effective Fragment Potential method ”.

14 December 2016: Serge ANTONCZAK (Professor, Département de Chimie, Université de Nice Sophia Antipolis) – ”Modelling a Multienzymatic Complex : Theoretical Strategies”.

15 December 2016: Zakaria ALAMIDDINE (PhD, CEISAM Laboratory, team ModEs) – PhD defense “New insights on the binding of insect nicotinic acetylcholine receptor agonists from multiscale molecular modeling”.

Seminars: 05/10/2015-06/06/2016

In CEISAM, within the ModEs Team (Modeling and Spectroscopy), each week the researchers participate in small seminars (maximum 20 minutes followed by questions). The members of MARCHES team participate to these events.

In 2015/2016, seminars were held each Monday at 9:30 AM in Marie Curie room and were organized by Dimitru Claudiu Sergentu.

5 October 2015: Cloé AZARIAS (PhD, CEISAM Laboratory, team ModEs)

19 October 2015: Simon BUDZAK (Post-Doc, CEISAM Laboratory, team ModEs)

2 November 2015: Dimitru Claudiu SERGENTU (PhD, CEISAM Laboratory, team ModEs)

16 November 2015: Arnaud FIHEY (Post-Doc, CEISAM Laboratory, team ModEs)

14 December 2016: Elena BOGDAN (Post-Doc, CEISAM Laboratory, team ModEs)

18 January 2016: Denis JACQUEMIN (Professor, coordinator of MARCHES project, CEISAM Laboratory, team ModEs)

1 February 2016: Gabriel MARCHAND (Post-Doc, CEISAM Laboratory, team ModEs)

15 February 2016: Daniel ESCUDERO-MASA (Post-Doc, CEISAM Laboratory, team ModEs)

29 February 2016: Anouar BELHBOUB (Post-Doc, CEISAM Laboratory, team ModEs)

21 March 2016: Adèle D. LAURENT (CNRS Researcher, CEISAM Laboratory, team ModEs)

4 April 2016: Kathy CHEN (PhD, CEISAM Laboratory, team ModEs)

19 April 2016: Arnaud FIHEY and Gabriel MARCHAND (Post-Docs, CEISAM Laboratory, team ModEs)

18 May 2016: Prof. Daniel VERCAUTEREN (Professor, Département de Chimie, Université de Namur, Belgique) – « On the intrinsic flexibility of the μ opioid receptor through multiscale
modeling approaches »

1 June 2016: Mylene PAWELEK and LOREN MASSON (Trainees, CEISAM Laboratory, team ModEs)

6 June 2016: Prof. Trond SAUE ( Head Research CNRS, Laboratoire de Chimie et Physique Quantiques, Université Paul Sabatier Toulouse) – « Simulation de la spectroscopie rayons X pour éléments lourds ».


 

Seminars : 29.09.2014 to 13.07.2015

In CEISAM, within the ModEs Team (Modeling and Spectroscopy), each week the researchers participate in small seminars (maximum 20 minutes followed by questions). The members of MARCHES team participate to these events.

In 2014/2015, seminars were held each Monday at 9:30 AM in Marie Curie room and were organized by Zakaria Alamiddine.

29 September 2014: Frédéric ANNE PhD Defense (PhD, CEISAM Laboratory, team ModEs)

14 October 2014: Agisilaos CHANTZIS (Post-Doc, CEISAM Laboratory, team ModEs)

20 October 2014: Agnès QUEMENER

27 October 2014: Siwar CHIBANI (PhD, CEISAM Laboratory, team ModEs)

05 November 2014: Siwar CHIBANI PhD Defense (PhD, CEISAM Laboratory, team ModEs)

10 November 2014: Arnaud FIHEY (Post-Doc, CEISAM Laboratory, team ModEs)

17 November 2014: José Pedro Ceron-Carrasco (Post-Doc, CEISAM Laboratory, team ModEs)

24 November 2014: Daniel ESCUDERO MASA (Post-Doc, CEISAM Laboratory, team ModEs)

01 December 2014: Adèle D. LAURENT (CNRS researcher, CEISAM Laboratory, team ModEs)

08 December 2014: Nicolas GALLAND (Assistant professor, CEISAM Laboratory, team ModEs)

15 December 2014: David MENDIVE-TAPIA (Post-Doc, CEISAM Laboratory, team ModEs)

12 January 2015: Denis JACQUEMIN (Professor, coordinator of MARCHES project, CEISAM Laboratory, team ModEs)

19 January 2015: Dimitri Claudiu SERGENTU (PhD, CEISAM Laboratory, team ModEs)

26 January 2015: Balaji PANNERSELVAM

2 February 2015: Aymeric BLONDEL (charge of cluster supercomputing, CEISAM Laboratory, team ModEs)

9 February 2015: Gabriel MARCHAND (Post-Doc, CEISAM Laboratory, team ModEs)

9 March 2015: Kathy CHEN (PhD, CEISAM Laboratory, team ModEs)

16 March 2015: Titouan JAUNET-LAHARY (PhD, CEISAM Laboratory, team ModEs)

23 March 2015: Stéphane TELETCHEA (Maître de conférences, team UFIP, Université de Nantes).

30 March 2015: Elena BOGDAN (Post-Doc, CEISAM Laboratory, team ModEs)

27 April 2015: Gabriel MARCHAND (Post-Doc, CEISAM Laboratory, team ModEs)

4 May 2015: Arnaud FIHEY (Post-Doc, CEISAM Laboratory, team ModEs)

27 May 2015: Olivier SIRI (Centre Interdisciplinaire de Nanoscience de Marseille, CNRS / Aix-Marseille Université)

29 May 2015: Trainees (CEISAM Laboratory, team ModEs)

1 June 2015: Denis JACQUEMIN (Professor, coordinator of MARCHES project, CEISAM Laboratory, team ModEs)

8 June 2015: Jérôme GRATON (Assistant professor, CEISAM Laboratory, team ModEs)

15 June 2015: Zakaria ALAMIDDDINE (PhD, CEISAM Laboratory, team ModEs)

22 June 2015: Daniel ESCUDERO-MASA (Post-Doc, CEISAM Laboratory, team ModEs)

29 June 2016: Jean-Yves LEQUESTEL (Professor, CEISAM Laboratory, coordinator of the team ModEs)

6 July 2015: Rémi MAURICE (CNRS researcher, Subatech)

13 July 2015: Titouan JAUNET-LAHARY (PhD, CEISAM Laboratory, team ModEs)

MRP Conference – April 25-28, 2016

Photo of the group. 25

MRP conference in Nantes

The team of MARCHES project is organising the final conference dealing with the Multi-Responsive Photochromes conference, in the framework of ERC project, and more specifically of its WP3. This third conference will take place in Nantes (Cité des Congrès) between 25th and 28th April 2016.

MRP-logo2

List of confirmed invited speakers:

  • Wesley R BROWNE, Groningen, NETHERLANDS
  • Frédéric CASTET, Bordeaux, FRANCE
  • Alberto CREDI, Bologna, ITALY
  • Stéphanie DELBAERE, Lille, FRANCE
  • Stefan HECHT, Berlin, GERMANY
  • Rainer HERGES, Kiel, GERMANY
  • Nathalie KATSONIS, Twente, NETHERLANDS
  • Rémi METIVIER, Cachan, FRANCE
  • Kingo UCHIDA, Ryukoku, JAPAN
  • Jianzhang ZHAO, Dalian, CHINA

For more information, please connect you on mrp.univ-nantes.fr or contact info.mrpconf@univ-nantes.fr

MPM Conference – April, 21-24, 2015

Photo of the group.
MPM_0453

MPM conference in Nantes

After its first conference devoted to the TD-DFT in 2013, the team of MARCHES project is organising a new conference dealing with the Modeling Photoactive Molecules, in the framework of ERC project, and more specifically of its WP3. This second conference will take place in Nantes between 21st and 24th April 2015.

List of confirmed invited speakers:

  1. Mike BEARPARK, London, UK
  2. Ksenia BRAVAYA, Boston, USA
  3. Ilaria CIOFINI, Paris, FRANCE
  4. Nicolas FERRÉ, Marseille, FRANCE
  5. Leticia GONZALEZ, Vienna, AUSTRIA
  6. Gerrit GROENHOF, Jyväskylä, FINLAND
  7. Roland LINDH,Uppsala, SWEDEN
  8. Shinichiro NAKAMURA, Riken, JAPAN
  9. Massimo OLIVUCCI, Siena, ITALY & Bowling Green, USA
  10. Walter THIEL, Mülheim an der Ruhr, GERMANY

For more information, please connect you on mpm.univ-nantes.fr or contact info.mpmconf@univ-nantes.fr

Seminars : 09/09/13 to 16/12/13

In CEISAM, within the ModEs Team (Modeling and Spectroscopy), each week the researchers participate in small seminars (maximum 20 minutes followed by questions) organized by Siwar CHIBANI. The members of MARCHES team participate to these events.

Seminars are held each Monday at 9:00 AM in Marie Curie room.
 
 
09 September 2013: Frédéric ANNE (PhD, CEISAM Laboratory, team ModEs)
 
17 September 2013: Nicolas GALLAND (Assistant professor, CEISAM Laboratory, team ModEs)
 
23 September 2013: Zakaria ALAMIDDDINE (PhD, CEISAM Laboratory, team ModEs)
 
30 September 2013: Siwar CHIBANI (PhD, CEISAM Laboratory, team ModEs)
 
01 October 2013: Aymeric BLONDEL (charge of cluster supercomputing, CEISAM Laboratory, team ModEs)
 
14 October 2013: David MENDIVE-TAPIA (Post-Doc, CEISAM Laboratory, team ModEs)
 
28 October 2013:Kathy CHEN (PhD, CEISAM Laboratory, team ModEs)
 
04 November 2013: Rémi MAURICE,(CNRS researcher, Subatech)
 
12 November 2013: Denis JACQUEMIN (Professor, coordinator of MARCHES project, CEISAM Laboratory, team ModEs)
 
18 November 2013: Jérôme GRATON (Assistant professor, CEISAM Laboratory, team ModEs)
 
25 November 2013: Ymène HOUARI (PhD, CEISAM Laboratory, team ModEs)
 
02 December 2013: Adèle D.LAURENT (CNRS researcher, CEISAM Laboratory, team ModEs)
 
09 December 2013: Azzam CHARAF-EDDIN (Post-Doc, CEISAM Laboratory, team ModEs)
 
16 December 2013:Sergentu CLAUDIU, (PhD, CEISAM Laboratory, team ModEs)

Seminars : 13/06/13 to 23/07/13

In CEISAM, within the ModEs Team (Modeling and Spectroscopy), each week the researchers participate in small seminars (maximum 20 minutes followed by questions) organized by Adèle Laurent. The members of MARCHES team participate to these events.

Seminars are held each Tuesday at 10:30 AM in Marie Curie room.
 
 
13 June 2013: Licence 3 students

14 June 2013: Gilles FRISON (Ecole Polytechnique )

18 June 2013: Jose CERON CARRASCO (Post-Doc, CEISAM Laboratory, team ModEs)
TheoBio presentation

25 June 2013: Titouan-JAUNET-LAHARY and Jerome MAHE: M1 rehearsal

2 July 2013: Jean Yves LE QUESTEL(Professor, CEISAM Laboratory, team ModEs): Quantitative tools for a comprehensive understanding of hydrogen-bonding.

9 July 2013: Aymeric SIARD (L3): Modeling excited states of thienopyrazines-based terthienyls: building blocks for low band gap conjugated materials

16 July 2013: Ymène HOUARI: Spectral signatures of perylene diimide derivatives

23 July 2013: Agisilaos CHANTZIS: Is the tamm-dancoff approximation reliable for the calculation of absorption and fluorescence band shapes?

Seminars : 05/03/13 to 21/05/13

Within the Denis Jacquemin’s group, the members of MARCHES team participate in small seminars (maximum 20 minutes followed by questions) organized by Adèle Laurent.

Seminars are held each Tuesday at 10:30 AM.
 
 
04 March 2013 Aurélie PERRIER-PINEAU (Paris Diderot, “ITODYS” laboratory, team “Molecular Modelling”) : Invited researcher in MARCHES project between 4th an 8th March.
Photochromes reactivity within complex systems

12 March 2013 Denis JACQUEMIN
Publishing tips: the old guy cookbook

19 March 2013 Jose CERON CARRASCO (Post-Doc, CEISAM Laboratory, team ModEs)
Rehearsal

26 March 2013 Adèle LAURENT
TBA

02 April 2013 Gaëlle RODRIGUEZ
TD-DFT conference : organization

09 April 2013 Azzam CHARAF EDDIN
TBA

23-26 April 2013 TD-DFT conference
 
07 May 2013 Elise DUMONT(ENS Lyon)
TBA

21 May 2013 Siwar CHIBANI
Computation of pKa for Photoacids

Seminars : 03/12/12 to 20/02/13

Within the Denis Jacquemin’s group, the members of MARCHES team participate in small seminars (maximum 20 minutes followed by questions) organized by Adèle Laurent.

Seminars are held each Tuesday at 10:30 AM.
 
 
03 december 2012 Adèle LAURENT (CNRS researcher, CEISAM Laboratory, team ModEs)
Fragmented E ective Fragment Potential

11 december 2012 Agisilaos CHANTZIS
Ruthenium Complexes Interacting with DNA

17 december 2012 Jose CERON (Post-Doc, CEISAM Laboratory, team ModEs)
Interplay Between Tautomeric Equilibria and Mutations in DNA

08 january 2013 Azzam CHARAF EDDIN
Computing Vibrationally-Resolved Electronic Spectra from first principles

17 january 2013 Denis JACQUEMIN
Azacalixphyrin: the Hidden Porphyrin Cousin Brought to Light

22 january 2013 Siwar CHIBANI
On the Computation of Adiabatic Energies in Aza-BODIPY Dyes

29 january 2013 Frederic ANNE (PhD student – CEISAM Laboratory, team ModEs)
Charge Transfer in -type Dye Sensitized Solar Cells

05 february 2013 Aymeric BLONDEL
Troy and its Extension for the ERC Project

12 february 2013 Ymene HOUARI
Computation of pKa for Photoacids

20 february 2013 Xavier ASSFELD
Invited speaker (Lorraine University, SRSMC laboratory)
 

TD-DFT conference in Nantes

In the framework of the ERC project and more specifically of its WP1, the team of MARCHES project organised a TD-DFT conference. It took place in Nantes between 23rd and 26th April 2013. During this conference, developments (beyond linear-response, new functionals, environmental effects, large systems,…), applications (Photochemistry & photophysics, Biological compounds, Technological device, …) and alternatives theories have been discussed.

List of invited speakers :

  1. Vincenzo BARONE, Pise, ITALY
  2. Roi BAER, Jerusalem, ISRAEL
  3. Mark E. CASIDA,Grenoble, FRANCE
  4. Andreas DREUW, Heidelberg, GERMANY
  5. Masahiro EHARA, Okazaki, JAPAN
  6. Wanzhen LIANG, Hefei, CHINA
  7. Oleg V.PREZHDO, Rochester, USA
  8. Ursula ROETHLISBERGER,, Lausanne, SWITZERLAND
  9. Angel RUBIO, San Sebastian, SPAIN
  10. David J. TOZER, Durham, UK
  11. Tom ZIEGLER, Calgary, CANADA