Remercier l’utilisation de la GMPCS

“We acknowledge the use of the computing center MésoLUM of the LUMAT research federation (FR LUMAT 2764)”

dans les remerciements/acknowledgments de vos articles.


Depuis plus de 9 ans (01/03/2018) 151 articles ont remercié la GMPCS.

Groupe plasmas_lac

  1. W. Jarrah, D. Benredjem, J.-C. Pain and J. Dubau, NLTE opacity calculations : C-Si and C-Ge mixtures High Energy Density Physics 24 (2017) 64-74

Groupe Physique des Gaz et des Plasmas

  1. P. Lee, T.-L. Audet, R. Lehe, J.L. Vay, G. Maynard, B. Cros, Investigation of the dynamics of ionization induced injected electrons under the influence of beam loading effects in Nucl. Instrum. Phys. Res. A Ref : In Press (2018) Doi :
  2. P. Lee, G. Maynard, T. L. Audet, B. Cros, R. Lehe, and J.-L. Vay, Dynamics of electron injection and acceleration driven by laser wakefield in tailored density profile, Phys. Rev. Accel. Beams 19, 112802
  3. P. Lee, T.L. Audet, R. Lehe, J.-L. Vay, G. Maynard, B. Cros. Modeling laser-driven electron acceleration using WARP with Fourier decomposition. Nuclear Instruments and Methods in Physics Research Section A : Accelerators, Spectrometers, Detectors and Associated Equipment. doi:10.1016/j.nima.2015.12.036
  4. T. L. Audet, M. Hansson, P. Lee, F. G. Desforges, G. Maynard, S. Dobosz Dufrénoy, R. Lehe, J.-L. Vay, B. Aurand, A. Persson, I. Gallardo Gonzàlez, A. Maitrallain, P. Monot, C.-G. Wahlström, O. Lundh, and B. Cros, Investigation of ionization-induced electron injection in a wakefield driven by laser inside a gas cell, Physics of Plasmas 23 (2016).

Groupe Ab-initio condensation de Bose-Einstein

  1. M. Lepers, R. Vexiau, M. Aymar, N. Bouloufa-Maafa and O. Dulieu. Long-range interactions between polar alkali-metal diatoms in external electric field, Physical Review A, 88, 032709 (2013).

Groupe Astrophysique et Edifices Moléculaires (astro thermo)

  1. L. H. Coudert. Journal of Chemical Physics 148, 094306 (2018) DOI : 10.1063/1.5018914
  2. C. Falvo. Linear and non-linear infrared response of one-dimensional vibrational holstein polarons in the anti-adiabatic limit : Optical and acoustical phonon models. J. Chem. Phys. 148, 074103 (2018).
  3. B. Gans, F. Holzmeier, J. Krüger, C. Falvo, A. Röder, A. Lopes, G. A. Garcia, C. Fittschen, J.-C. Loison, and C. Alcaraz. Synchrotron-based valence shell photoionization of CH radical. J. Chem. Phys. 144, 204307 (2016).
  4. P. Parneix, A. Gamboa, C. Falvo, M. A. Bonnin, T. Pino, F. Calvo, Molecular Astrophysics 7, 9-18 (2017). Dehydrogenation effects on the stability of aromatic units in polycyclic aromatic hydrocarbons : a computational study at finite temperature.
  5. L. H. Coudert. Optimal orientation of an asymmetric top molecule with terahertz pulses. The Journal of Chemical Physics, 146 (2017) 024303
  6. P. Bréchignac, G. A. Garcia, C. Falvo, C. Joblin, D. Kokkin, A. Bonnamy, P. Parneix, T. Pino, O. Pirali, G. Mulas, and L. Nahon. Photoionization of cold gas phase coronene and its clusters : Autoionization resonances in monomer, dimer, and trimer and electronic structure of monomer cation. J. Chem. Phys. 141, 164325 (2014).
  7. C. Falvo, L. Daniault, T. Vieille, V. Kemlin, J.-C. Lambry, C. Meier, M. H. Vos, A. Bonvalet, and M. Jof- fre. Ultrafast dynamics of carboxy-hemoglobin : Two-dimensional infrared spectroscopy experiments and simulations. J. Phys. Chem. Lett. 6, 2216–2222 (2015).
  8. N. Lamarre, C. Falvo, C. Alcaraz, B. Cunha de Miranda, S. Douin, A. Flütsch, C. Romanzin, J. C. Guillemin, S. Boyé-Péronne, and B. Gans. Photoionization spectroscopy of CH3C3N in the vacuum-ultraviolet range. J. Mol. Spectrosc., in press (2015).
  9. G. Féraud, T. Pino, C. Falvo, P. Parneix, T. Combriat, T., and P. Bréchignac, Intramolecular processes revealed using UV-laser-induced IR-fluorescence : A new perspective on the "channel three" of benzene. J. Phys. Chem. Lett. 5, 1083–1090 (2014).
  10. P. Parneix, M. Basire et F. Calvo. Accurate modeling of Infrared Multiple Photon Dissociation:the dynamical role of anharmonicities. Journal of Physical Chemistry A 117, 3954 (2013).
  11. Cyril Falvo, Arunangshu Debnath, and Christoph Meier. Vibrational ladder climbing in carboxy-hemoglobin : Effects of the protein environment. J. Chem. Phys. 138, 145101 (2013).
  12. Cyril Falvo, Hela Friha, Thomas Pino, Zoubeida Dhaouadi, Pascal Parneix, Florent Calvoc and Philippe Bréchignac. Effects of hydrogen dissociation on the infrared emission spectra of naphthalene : theoretical modeling. Phys. Chem. Chem. Phys., 2013, Advance Article, DOI : 10.1039/C3CP44703K
  13. C. Falvo, F. Calvo, and P. Parneix. Probing the spin multiplicity of gas-phase polycyclic aromatic hydrocarbons through their infrared emission spectrum : A theoretical study. J. Chem. Phys., 137, 064303 (2012).
  14. P. Parneix, M. Basire and F. Calvo, Computational and Theoretical Chemistry 990, 112-118 (2012)

Groupe ab-initio molécules organiques et biologique (Abini bio)

  1. Mitsuhiko Miyazaki, Ryuhei Ohara, Claude Dedonder, Christophe Jouvet and Masaaki Fujii, Electron-Proton Transfer Mechanism of Excited-State Hydrogen Transfer in Phenol-(NH3)n (n=3 and 5) Chemistry - A European Journal Volume 24, Issue 4, January 19, 2018, Pages : 881–890, Version, DOI : 10.1002/chem.201704129
  2. Catani, K. J. ; Muller, G. ; Jusko, P. ; Theulé, P. ; Bieske, E. J. ; Jouvet, C. Electronic spectrum of the protonated diacetylene cation (H2C4H+). J. Chem. Phys. 2017, 147, 84302.
  3. Noble, J. A. ; Broquier, M. ; Gregoire, G. ; Soorkia, S. ; Pino, G. A. ; Marceca, E. ; Dedonder-Lardeux, C. ; Jouvet, C. Tautomerism and electronic spectroscopy of protonated 1- and 2-aminonaphthalene. Phys. Chem. Chem. Phys. 2018 . DOI : 10.1039/C8CP00218E
  4. Broquier, M. ; Soorkia, S. ; Pino, G. ; Dedonder-Lardeux, C. ; Jouvet, C. ; Grégoire, G. Excited State Dynamics of Cold Protonated Cytosine Tautomers : Characterization of Charge Transfer, Intersystem Crossing, and Internal Conversion Processes. J. Phys. Chem. A 2017, 121, 6429–6439.
  5. Noble, J. A. ; Dedonder-Lardeux, C. ; Mascetti, J. ; Jouvet, C. Electronic Spectroscopy of Protonated 1-Aminopyrene in a Cold Ion Trap. Chem. - An Asian J. 2017. DOI : 10.1002/asia.201700327
  6. Noble, J. A. ; Jouvet, C. ; Aupetit, C. ; Moudens, A. ; Mascetti, J. Astrophysics Efficient Photochemistry of Coronene  : Water Complexes. Astron. Astrophys. 2017, 124, 1–6.
  7. Feraud, G. ; Luis, D. ; Marceca, E. ; Dedonder-Lardeux, C. ; Jouvet, C. Photodissociation Electronic Spectra of Cold Protonated Quinoline and Isoquinoline in the Gas-Phase. J. Chem. Phys. A 2017, 121 (13), pp 2580–2587.
  8. Esteves-lópez, N. ; Coussan, S. ; Dedonder-lardeux, C. ; Jouvet, C. Photoinduced Water Splitting in Pyridine Water Clusters. Phys. Chem. Chem. Phys. 2016, 18, 25637–25644.
  9. Reza Omidyan, Zohreh Amanollahi, Gholamhassan Azimi, Solvation effect on isomer stability and electronic structures of protonated serotonin, Chemical Physics Letters, Accepted :
  10. Reza Omidyan and Maryam Iravani, Excited-state intramolecular proton transfer and photoswitching in hydroxyphenylimidazopyridine derivatives : A theoretical study. The Journal of Chemical Physics 145, 184303 (2016) ; doi : 10.1063/1.4967199
  11. Reza Omidyan, Zohreh Amanollahi, Gholamhassan Azimi, Protonated serotonin : Geometry, electronic structures and photophysical properties, Spectrochimica Acta Part A : Molecular and Biomolecular Spectroscopy 182 (2017) 8–16
  12. Saeed Zakavi, Reza Omidyan and Sadegh Talebzadeh, The influence of protonation on the spectral properties of porphine : UV-vis, and ab initio studies, RSC Advances,2016,6, 82219–82226 , DOI : 10.1039/c6ra12520d
  13. Garcia, R. L. ; Nieuwjaer, N. ; Desfrançois, C. ; Lecomte, F. ; Leite, S. D. ; Manil, B. ; Broquier, M. ; Grégoire, G. Vibronic Spectra of Protonated Hydroxypyridines : Contributions of Prefulvenic and Planar Structures. Phys. Chem. Chem. Phys. 2017 DOI : 0.1039/C6CP08623C
  14. Soorkia, S. ; Broquier, M. ; Grégoire, G. Multiscale Excited State Lifetimes of Protonated Dimethyl Aminopyridines. Phys. Chem. Chem. Phys. 2016, 18, 23785–23794
  15. Kumar, S. ; Lucas, B. ; Fayeton, J. ; Scuderi, D. ; Alata, I. ; Broquier, M. ; Barbu-Debus, K. Le ; Lepère, V. ; Zehnacker, A. Photofragmentation Mechanisms in Protonated Chiral Cinchona Alkaloids. Phys. Chem. Chem. Phys. 2016, 18, 22668–22677
  16. Capello, M. C. ; Hernández, F. J. ; Broquier, M. ; Dedonder-Lardeux, C. ; Jouvet, C. ; Pino, G. A. Hydrogen Bonds vs. π-Stacking Interactions in the P-Aminophenol⋯p-Cresol Dimer : An Experimental and Theoretical Study. Phys. Chem. Chem. Phys. 2016, 18, 31260–31267
  17. Alejandro Gutierrez-Quintanilla, Michele Chevalier and Claudine Crepin Double deuterated acetylacetone in neon matrices : infrared spectroscopy, photoreactivity and the tunneling process Phys.Chem.Chem.Phys., 2016, 18, 20713
  18. Lepere, V. ; Le Barbu-Debus, K. ; Clavaguera, C. ; Scuderi, D. ; Piani, G. ; Simon, A.-L. ; Chirot, F. ; MacAleese, L. ; Dugourd, P. ; Zehnacker, A. Chirality-dependent structuration of protonated or sodiated polyphenylalanines : IRMPD and ion mobility studies. Physical chemistry chemical physics : PCCP 2016, 18 (3), 1807-17.
  19. Féraud, G. ; Dedonder-Lardeux, C. ; Jouvet, C. ; Marceca, E. Photodissociation UV–Vis Spectra of Cold Protonated Azobenzene and 4-(Dimethylamino)azobenzene and Their Benzenediazonium Cation Fragment. J. Phys. Chem. A 2016, 120, acs.jpca.6b03505.
  20. Pino, G. A. ; Feraud, G. ; Broquier, M. ; Grégoire, G. ; Soorkia, S. ; Dedonder, C. ; Jouvet, C. Non-radiative processes in protonated diazines, pyrimidine bases and an aromatic azine. Phys. Chem. Chem. Phys. 2016, 18, 20126–20134
  21. Broquier, M. ; Soorkia, S. ; Dedonder-Lardeux, C. ; Jouvet, C. ; Theulé, P. ; Grégoire, G. Twisted Intramolecular Charge Transfer in Protonated Amino Pyridine. J. Phys. Chem. A 2016, 120, 3797–3809.
  22. Reza Omidyan, Masoud Omidyan and Atefeh Mohammadzadeh, RSC Adv., 2016, 6, 33148
  23. Reza Omidyan and Maryam Iravani J. Phys. Chem. A 2016, 120, 1012−1019, DOI : 10.1021/acs.jpca.5b12122
  24. Reza Omidyan, Mohammad Salehi and Gholamhassan Azimi, RSC Adv., 2015, 5, 97619
  25. Reza Omidyan, Mohammad Salehi and Zahra Heidari, Photochem. Photobiol. Sci., 2015, 14, 2261
  26. Alata, I. ; Scuderi, D. ; Lepere, V. ; Steinmetz, V. ; Gobert, F. ; Thiao-Layel, L. ; Le Barbu-Debus, K. ; Zehnacker-Rentien, A. Exotic Protonated Species Produced by UV-Induced Photofragmentation of a Protonated Dimer : Metastable Protonated Cinchonidine. Journal of Physical Chemistry A 2015, 119 (39), 10007-10015.
  27. Hernandez, F. J. ; Capello, M. C. ; Naito, A. ; Manita, S. ; Tsukada, K. ; Miyazaki, M. ; Fujii, M. ; Broquier, M. ; Gregoire, G. ; Dedonder-Lardeux, C. ; et al. Trapped Hydronium Radical Produced by UV Excitation of Substituted Aromatic Molecule. J. Phys. Chem. A 2015, 119 (51), 12730–12735.
  28. Esteves-López, N. ; Dedonder-Lardeux, C. ; Jouvet, C. Excited State of Protonated Benzene and Toluene. J. Chem. Phys. 2015, 143 (7), 074303.
  29. Taccone, M. I. ; Féraud, G. ; Berdakin, M. ; Dedonder-Lardeux, C. ; Jouvet, C. ; Pino, G. a. Communication : UV Photoionization of Cytosine Catalyzed by Ag+. J. Chem. Phys. 2015, 143 (4), 041103.
  30. Spectroscopic Study of Jet-Cooled Deuterated Porphycenes : Unusual Isotopic Effects on Proton Tunneling ET Mengesha, A Zehnacker-Rentien, J Sepioł, M Kijak, J Waluk The Journal of Physical Chemistry B (2015) 119, 2193–2203
  31. Féraud, G. ; Berdakin, M. ; Dedonder, C. ; Jouvet, C. ; Pino, G. a Excited States of Proton-Bound DNA / RNA Base Homodimers  : Pyrimidines. J. Phys. Chem. B 2015, 119, 2219–2228.
  32. Féraud, G. ; Esteves-López, N. ; Dedonder-Lardeux, C. ; Jouvet, C. UV spectroscopy of cold ions as a probe of the protonation site. Phys. Chem. Chem. Phys. 2015.
  33. Noble, J. A. ; Dedonder, C. ; Jouvet, C. the Electronic Spectra ofprotonated PANH Molecules. Astron. Astrophys. 2015, A79, 577.
  34. Féraud, G. ; Broquier, M. ; Dedonder, C. ; Jouvet, C. Excited-state dynamics of protonated phenylalanine and tyrosine : photo-induced reactions following electronic excitation. J. Phys. Chem. A 2015, 119, 5914–5924.
  35. Inokuchi, Y. ; Haino, T. ; Sekiya, R. ; Morishima, F. ; Dedonder-Lardeux, C. ; Féraud, G. ; Jouvet, C. ; Ebata, T. UV photodissociation spectroscopy of cryogenic cooled gas phase host-guest complex ions of crown ethers. Phys. Chem. Chem. Phys. 2015.
  36. Broquier, M. ; Soorkia, S. ; Grégoire, G. Phys. Chem. Chem. Phys. 2015 DOI 10.1039/C5CP01375E .
  37. Féraud, G. ; Broquier, M. ; Dedonder, C. ; Jouvet, C. ; Grégoire, G. ; Soorkia, S. J. Phys. Chem. A 2015, 119, 5914–5924.
  38. Reza Omidyan, Zahra Heidari, Mohammad Salehi and Gholamhasan Azimi J. Phys. Chem.A, 2015, 119, 6650–6660
  39. Reza Omidyan, Mitra Ataelahi and Gholamhassan Azimi. RSC Advances, 2015, 5, 29032 - 29039
  40. Mitra Ataelahi, Reza Omidyan and Gholamhassan Azimi Photochem. & Photobiol. Sci. 2015, 14, 457-464
  41. Bouchet, A. ; Altnöder, J. ; Broquier, M. ; Zehnacker, A. J. Mol. Struct. 2014, 1076, 344–351.
  42. Zehnacker, A. Chirality effects in gas-phase spectroscopy and photophysics of molecular and ionic complexes : contribution of low and room temperature studies. International Reviews in Physical Chemistry 2014, 33 (2), 151-207.
  43. Scuderi, D. ; Lepere, V. ; Piani, G. ; Bouchet, A. ; Zehnacker-Rentien, A. Structural Characterization of the UV-Induced Fragmentation Products in an Ion Trap by Infrared Multiple Photon Dissociation Spectroscopy. Journal of Physical Chemistry Letters 2014, 5, 56.
  44. Chaudret, R. ; Courcy, B. d. ; Contreras-Garcia, J. ; Gloaguen, E. ; Zehnacker-Rentien, A. ; Mons, M. ; Piquemal, J. P. Unraveling Non Covalent Interactions within Flexible Biomolecules : from electron density topology to gas phase spectroscopy Physical Chemistry Chemical Physics 2014, 16, 9876-9891.
  45. Capello, M. C. ; Broquier, M. ; Ishiuchi, S.-I. ; Sohn, W. Y. ; Fujii, M. ; Dedonder-Lardeux, C. ; Jouvet, C. ; Pino, G. a. J. Phys. Chem. A 2014, 118, 2056–2062.
  46. Féraud, G. ; Broquier, M. ; Dedonder-Lardeux, C. ; Grégoire, G. ; Soorkia, S. ; Jouvet, C. Phys. Chem. Chem. Phys. 2014, 16, 5250.
  47. Soorkia, S. ; Broquier, M. ; Grégoire, G. J. Phys. Chem. Lett. 2014, 5, 4349–4355.
  48. Behnaz Saed and Reza Omidyan, Protonation effect on the electronic properties of 2-pyridone monomer, dimer and its water clusters : A theoretical study, THE JOURNAL OF CHEMICAL PHYSICS 140, 024315 (2014)
  49. Reza Omidyan and Hajar Rezaei, Excited state deactivation pathways of neutral/protonated anisole and p-fluoroanisole : a theoretical study, Phys. Chem. Chem. Phys.,2014, 16, 11679 DOI : 10.1039/c4cp00679h
  50. Mitra Ataelahi† and Reza Omidyan, Microhydration Effects on the Electronic Properties of Protonated Phenol : A Theoretical Study, J. Phys. Chem. A 2013, 117, 12842−12850
  51. Ahmad J. Moghadam, Reza Omidyan and Valiollah Mirkhani Photophysics of a Schiff base : theoretical exploration of the excited-state deactivation mechanisms of N-salicilydenemethylfurylamine (SMFA), Phys. Chem. Chem. Phys., 2014, 16, 2417 DOI : 10.1039/c3cp54416h
  52. Marcela Carolina Capello, Michel Broquier, Shun-Ichi Ishiuchi, Woon Y Sohn, Masaaki Fujii, Claude Dedonder-Lardeux, Christophe Jouvet, Gustavo a Pino. Fast Non-radiative Decay in O-aminophenol. in The journal of physical chemistry. A (2014)
  53. Géraldine Féraud, Michel Broquier, Claude Dedonder-Lardeux, Gilles Grégoire, Satchin Soorkia, Christophe Jouvet. Photofragmentation spectroscopy of cold protonated aromatic amines in the gas phase. in Phys. Chem. Chem. Phys. (2014)
  54. Géraldine Féraud, Claude Dedonder, Christophe Jouvet, Yoshiya Inokuchi, Takeharu Haino, Ryo Sekiya, Takayuki Ebata Development of Ultraviolet − Ultraviolet Hole-Burning Spectroscopy for Cold Gas-Phase Ions. in J. Phys. Chem. Lett. (2014)
  55. Satchin Soorkia, Christophe Dehon, Sunil Kunar, Melanie Pedrazzani, Emilie Frantzen, Bruno Lucas, et al. UV photofragmentation dynamics of protonated cystine : disulfide bond rupture. in J. Phys. Chem. lett. (2014)
  56. Féraud, G. ; Dedonder-lardeux, C. ; Soorkia, S. ; Jouvet, C. Photo-fragmentation spectroscopy of benzylium and 1-phenylethyl cations. J. Chem. Phys. 2014, 024302, 1–10.
  57. Mališ, M. ; Loquais, Y. ; Gloaguen, E. ; Jouvet, C. ; Brenner, V. ; Mons, M. ; Ljubić, I. ; Došlić, N. Non-radiative relaxation of UV photoexcited phenylalanine residues : probing the role of conical intersections by chemical substitution. Phys. Chem. Chem. Phys. 2014, 16, 2285–8.
  58. Weiler, M. ; Miyazaki, M. ; Féraud, G. ; Ishiuchi, S. ; Dedonder, C. ; Jouvet, C. ; Fujii, M. Unusual Behavior in the First Excited State Lifetime of Catechol. J. Phys. Chem. Lett. 2013, 4, 3819–3823.
  59. Stanca-Kaposta E.C., Carcabal P., Cocinero E.J., Hurtado P., Simons J.P. "Carbohydrate-aromatic interactions : vibrational spectroscopy and structural assignment of isolated monosaccharide complexes with p-hydroxy toluene and N-acetyl L-tyrosine methylamide." Journal of Physical Chemistry B 117 (27):8135–8142 (2013).
  60. Carcabal, P., Cocinero, E. J., & Simons, J. P., "Binding energies of micro-hydrated carbohydrates : measurements and interpretation". Chem. Science, 4 (2013) 1830–1836.
  61. Dehon C., Soorkia S., Jouvet C., Barat M., Fayeton J. A., Lucas B., "Photofragmentation at 263 nm of small peptides containing tyrosine : the role of the charge transfer on CO", Phys. Chem. Chem. Phys., 15, (2013) 8779–8788.
  62. Alata, I., Bert, J., Broquier, M., Dedonder, C., Feraud, G., Grégoire, G., Soorkia, S., et al., "Electronic Spectra of the Protonated Indole Chromophore in the Gas Phase". J.Phys. Chem. A, 117 (2013) 4420–4427. doi:10.1021/jp402298y.
  63. Capello, M. C., Broquier, M., Dedonder-Lardeux, C., Jouvet, C. and Pino, G. A., "Fast excited state dynamics in the isolated 7-azaindole-phenol H-bonded complex." J. Chem. Phys., 138 (2013) 054304. doi:10.1063/1.4789426.
  64. Saed B. and Omidyan R., "Electronically Excited States of Protonated Aromatic Hydrocarbons : Phenanthrene and Pyrene", J. Phys. Chem. A 117 (2013) 2499−2507.
  65. Azizkarimi Sh., Omidyan R., Azimi Gh. Electronically excited states of protonated phenol and para-substituted phenol. Chem. Phys. Lett. 555 (2013) 19–25
  66. Alata, I. ; Broquier, M. ; Dedonder, C. ; Jouvet, C. ; Marceca, E. Electronic excited states of protonated aromatic molecules : Protonated Fluorene. Chemical Physics 393 (2012) 25-31.
  67. Sunil Kumar, S., Lucas, B., Soorkia, S., Barat, M., & Fayeton, J. A., "Calpha-Cbeta chromophore bond dissociation in protonated tyrosine-methionine, methionine-tyrosine, tryptophan-methionine, methionine-tryptophan and their sulfoxide analogs.", Phys. Chem. Chem. Phys., 14 (2012), 10225–32.
  68. Omidyan R. Protonation effect on the electronic structure of small PAHs : Acenaphthylene and Acenaphthene. Chem. Phys. Lett. 518 (2011) 15–20
  69. Alata, I. ; Broquier, M. ; Dedonder-Lardeux, C. ; Jouvet, C. ; Kim, M. ; Sohn, W. Y. ; Kim, S.-su ; Kang, H. ; Schütz, M. ; Patzer, A. ; Dopfer, O. Microhydration effects on the electronic spectra of protonated polycyclic aromatic hydrocarbons : [naphthalene-(H2O)n = 1,2]H+. J. Chem. Phys. 2011, 134, 074307.
  70. Alata, I. ; Omidyan, R. ; Broquier, M. ; Dedonder, C. ; Jouvet, C. Protonated salicylaldehyde : Electronic properties. Chemical Physics 2011.
  71. Cheong, N. R. ; Nam, S. H. ; Park, H. S. ; Ryu, S. ; Song, J. K. ; Park, S. M. ; Pérot, M. ; Lucas, B. ; Barat, M. ; Fayeton, J. a ; Jouvet, C. Photofragmentation in selected tautomers of protonated adenine. Phys. Chem. Chem. Phys. 2011, 13, 291-5.
  72. Pino, G. A. ; Alata, I. ; Dedonder, C. ; Jouvet, C. ; Sakota, K. ; Sekiya, H. Photon induced isomerization in the first excited state of the 7-azaindole-(H(2)O)(3) cluster. Phys. Chem. Chem. Phys. 2011, 13, 6325-6331.
  73. Sepioł, J., Grabowska, A., Borowicz, P., Kijak, M. ; Broquier, M., Jouvet, C., Dedonder-Lardeux, C., Zehnacker-Rentien, A. "Excited-state intramolecular proton transfer reaction modulated by low-frequency vibrations : An effect of an electron-donating substituent on the dually fluorescent bis-benzoxazole.", J. Chem. Phys. 2011, 135, 034307.
  74. Tsuji, N. ; Ishiuchi, S.-I. ; Jouvet, C. ; Dedonder-Lardeux, C. ; Miyazaki, M. ; Sakai, M. ; Fujii, M. Hole-Burning Spectra of m-Fluorophenol/Ammonia (1:3) Clusters and Their Excited State Hydrogen Transfer Dynamics. ChemPhysChem 2011, 8503, 1-8.
  75. Alata, I. ; Dedonder, C. ; Broquier, M. ; Marceca, E. ; Jouvet, C. supmat_jacs2010. J. Am. Chem. Soc. 2010, 1-8.
  76. Omidyan, R. "Protonation effect on the electronic structure of small PAHs : Acenaphthylene and Acenaphthene", Chemical Physics Letters 518 (2011) 15–20
  77. Alata, I. ; Dedonder, C. ; Broquier, M. ; Marceca, E. ; Jouvet, C., Role of the Charge-Transfer State in the Electronic Absorption of Protonated Hydrocarbon Molecules. Journal of the American Chemical Society 2010, 132, (49), 17483-17489.
  78. Alata, I. ; Omidyan, R. ; Broquier, M. ; Dedonder, C. ; Dopfer, O. ; Jouvet, C., "Effect of protonation on the electronic structure of aromatic molecules : naphthaleneH(+).", Physical Chemistry Chemical Physics 2010, 12, (43), 14456-14458. Available at :
  79. Esboui M, Jouvet C, Dedonder C, Ebata T. "Excited-state dynamics of the 2-hydroxypyridine-ammonia complex.", Journal of Physical Chemistry A. 2010, 114(9):3060-3066. Available at :
  80. Patzer, A. ; Zimmermann, M. ; Alata, I. ; Jouvet, C. ; Dopfer, O., "Electronic Spectra of Protonated Benzaldehyde Clusters with Ar and N-2 : Effect of pi pi* Excitation on the Intermolecular Potential.", Journal of Physical Chemistry A 2010, 114, (48), 12600-12604.
  81. Pino, G. A. ; Oldani, A. N. ; Marceca, E. ; Fujii, M. ; Ishiuchi, S. I. ; Miyazaki, M. ; Broquier, M. ; Dedonder, C. ; Jouvet, C., Excited state hydrogen transfer dynamics in substituted phenols and their complexes with ammonia : pi pi*-pi sigma* energy gap propensity and ortho-substitution effect. Journal of Chemical Physics 2010, 133, (12).
  82. Sakota K, Jouvet C, Dedonder C, Fujii M, Sekiya H. "Excited-state triple-proton transfer in 7-azaindole(h(2)o)(2) and reaction path studied by electronic spectroscopy in the gas phase and quantum chemical calculations (†)." Journal of Physical Chemistry A. 2010 ;114(42):11161-6. Available at :
  83. Alata I, Omidyan R, Dedonder-Lardeux C, Broquier M, Jouvet C. "Electronically excited states of protonated aromatic molecules : benzaldehyde." Physical Chemistry Chemical Physics. 2009 ;11(48):11479-86. Available at :
  84. Chakraborty S, Omidyan R, Alata I, et al. "Protonated benzene dimer : an experimental and ab initio study.", Journal of the American Chemical Society. 2009 ;131(31):11091-7. Available at :
  85. Rode M, Sobolewski AL, Dedonder C, Jouvet C, Dopfer O. "Computational Study on the Photophysics of Protonated Benzene.", Journal of Physical Chemistry A. 2009 ;113(20):5865-5873. Available at :
  86. Kadhane, U. ; Perot, M. ; Lucas, B. ; Barat, M. ; Fayeton, J. A. ; Jouvet, C. ; Ehlerding, A. ; Kirketerp, M. B. S. ; Nielsen, S. B. ; Wyer, J. A. ; Zettergren, H., Photodissociation of protonated tryptamine and its supramolecular complex with 18-crown-6 ether : Dissociation times and channels, absorption spectra, and excited states calculations. Chemical Physics Letters 2009, 480, (1-3), 57-61.
  87. Chakraborty, S. ; Omidyan, R. ; Alata, I. ; Nielsen, I. B. ; Dedonder, C. ; Broquier, M. ; Jouvet, C., "Protonated Benzene Dimer : An Experimental and Ab Initio Study." Journal of the American Chemical Society 2009, 131, (31), 11091-11097.
  88. Carrera, A. ; Nielsen, I. B. ; Carcabal, P. ; Dedonder, C. ; Broquier, M. ; Jouvet, C. ; Domcke, W. ; Sobolewski, A. L., "Biradicalic excited states of zwitterionic phenol-ammonia clusters." Journal of Chemical Physics 2009, 130, (2), Available at :
  89. Lucas, B. ; Barat, M. ; Fayeton, J. A. ; Perot, M. ; Jouvet, C. ; Gregoire, G. ; Nielsen, S. B., "Mechanisms of photoinduced C-alpha-C-beta bond breakage in protonated aromatic amino acids.", Journal of Chemical Physics 2008, 128, (16).
  90. Koizumi, Y. ; Jouvet, C. ; Norihiro, T. ; Ishiuchi, S. ; Dedonder-Lardeux, C. ; Fujii, M., "Electronic spectra of 7-azaindole/ammonia clusters and their photochemical reactivity." Journal of Chemical Physics 2008, 129, (10).

Groupe Astro : structure, dynamique, réactivité

  1. S. Garcia-Gil, D. Teillet-Billy , N. Rougeau , and V. Sidis, "H Atom Adsorption on a Silicate Surface : The (010) Surface of Forsterite", J. Phys. Chem. C, 117, 12612 (2013), DOI : 10.1021/jp4025365

Groupe surface collisions électron-molécule et plasmonique

  1. S. Kossler, P. Feulner and J. P. Gauyacq, "Electronic excitations of helium bilayers on a metal substrate", PHYSICAL REVIEW B 89, 165410 (2014)
  2. J. P. Gauyacq and N. Lorente, "Excitation of spin waves by tunneling electrons in ferromagnetic and antiferromagnetic spin- 1 Heisenberg chains", PHYSICAL REVIEW B 83, 035418 (2011)
  3. S. Diaz-Tendero, A. G. Borisov, and J. P. Gauyacq, "Theoretical study of the electronic excited states in ultrathin ionic layers supported on metal, surfaces : NaCl/Cu(111)",PHYSICAL REVIEW B 83, 115453 (2011)

Groupe Surface photoionisation et plasmonique

  1. G. Raseev, "Plasmon resonances of Ag(001) and Ag(111) studied by power density absorption and photoyield", Surf. Sci., 615, 6 (2013)
  2. G. Raseev, "Laser fields at flat interfaces : I Vector potential", EPJ, D 66, 179 (2012)
  3. G. Raseev, "Laser fields at flat interfaces : II. Plasmon resonances in aluminium photoelectron spectra", EPJ, D 66, 180 (2012)
  4. G. Raseev and D. Bejan, ``Multipole surface plasmon resonance of an aluminium surface’’, Optics Communications, 283 (2010) 3976-3984

Groupe champs intense, optique et condensation de Bose-Einstein

  1. R. Corgier, S. Amri, W. Herr, H. Ahlers, D. Guéry-Odelin, E. M. Rasel, E. Charron, and N. Gaaloul-Fast manipulation of Bose-Einstein condensates with an atom chip Submitted to : New Journal of Physics (2018)
  2. R. Chamakhi, R. Puthumpally-Joseph, M. Telmini, E. Charron - Extracting spectroscopic molecular parameters from short pulse photo-electron angular distributions The Journal of Chemical Physics 147, 144304 (2017)
  3. M. Sukharev and E. Charron Molecular plasmonics : The role of rovibrational molecular states in exciton-plasmon materials under strong-coupling conditions Physical Review B 95, 115406 (2017)
  4. R. Puthumpally-Joseph, J. Viau-Trudel, M. Peters, T. T. Nguyen-Dang, O. Atabek and E. Charron - Laser-induced electron diffraction : Inversion of photoelectron spectra for molecular orbital imaging Molecular Physics 115, 1889 (2017)
  5. T. T. Nguyen-Dang, M. Peters, J. Viau-Trudel, E. Couture-Bienvenue, R. Puthumpally-Joseph, E. Charron and O. Atabek - bLaser-induced electron diffraction : Alignment defects and symmetry breaking Molecular Physics 115, 1934 (2017)
  6. R. Puthumpally-Joseph, J. Viau-Trudel, M. Peters, T. T. Nguyen-Dang, O. Atabek, and E. Charron Inversion of strong-field photoelectron spectra for molecular orbital imaging Physical Review A 94, 023421 (2016)
  7. R. Puthumpally-Joseph, M. Sukharev and E. Charron Non-Hermitian wave packet approximation for coupled two-level systems in weak and intense fields The Journal of Chemical Physics 144, 154109 (2016)
  8. A. Jaouadi, M. Telmini, and Eric Charron Bose-Einstein condensation with a finite number of particles in a power-law trap PHYSICAL REVIEW A 92, 017602 (2015)
  9. Puthumpally-Joseph, R., Atabek, O., Sukharev, M., ​and Charron, E. Theoretical analysis of dipole-induced electromagnetic transparency PHYSICAL REVIEW A, 91(4), 043835​ (2015)
  10. Puthumpally-Joseph, R., Sukharev, M., Atabek, O., ​and Charron, E. Dipole-Induced Electromagnetic Transparency PHYSICAL REVIEW LETTERS, 113(16), 163603​ (2014)
  11. E. Charron and M. Sukharev,"Non-Hermitian wave packet approximation of Bloch optical equations.", J. Chem. Phys., 138, 024108 (2013)
  12. M. Peters, T. T. Nguyen-Dang, E. Charron, A. Keller, and O. Atabek Laser-induced electron diffraction : A tool for molecular orbital imaging Phys. Rev. A85, 053417 (2012).
  13. M. Peters, T. T. Nguyen-Dang, C. Cornaggia, S. Saugout, E. Charron, A. Keller, and O. Atabek, "Ultrafast molecular imaging by laser-induced electron diffraction", Physical Review A 83, 051403(R) (2011). Available at :
  14. A. Jaouadi, M. Telmini, and E. Charron, "Bose-Einstein condensation with a finite number of particles in a power-law trap", Physical Review A 83, 023616 (2011).
  15. M. Peters, T.-T. Nguyen-Dang and O. Atabek, "Intense laser-induces molecular processes : from imaging to control", Physical and Chemical News 57 (2011) 1-12.
  16. A. Jaouadi, N. Gaaloul, B. V. de Lesegno, M. Telmini, L. Pruvost, and E. Charron, "Bose-Einstein condensation in dark power-law laser traps", Physical Review A 82, 023613 (2010).
  17. T.-T. Nguyen-Dang, M. Peters, S.-M. Wang and F. Dion, "Toward ab-initio simulations of multiple ionization processes in intense laser field", Chemical Physics 366 (2009) 71-84.

Groupe nanosciences moléculaires

  1. B. Rogez, R. Horeis, E. Le Moal, J. Christoffers, K. Al-Shamery, G. Dujardin, E. Boer-Duchemin, "Optical and electrical excitation of hybrid guided modes in an organic nanofiber-gold film system", J. Phys. Chem. C 119, 22217 (2015)
  2. E. Le Moal, S. Marguet, B. Rogez, S. Mukherjee, Ph. Dos Santos, E. Boer-Duchemin, G. Comtet, G. Dujardin, "An Electrically Excited Nanoscale Light Source with Active Angular Control of the Emitted Light", Nano Letters 13, 4198−4205 (2013)

Groupe gaz quantiques atomiques et localisation d’Anderson

  1. L. Sanchez-Palencia, "At the edge of mobility", Nat. Phys. 11, 525-526 (2015)
  2. M. Piraud, L. Sanchez-Palencia, and B. van Tiggelen, "Anderson localization of matter waves in 3D anisotropic disordered potentials", Phys. Rev. A 90, 063639 (2014)
  3. S. Lellouch and L. Sanchez-Palencia, "Localization transition in weakly-interacting Bose superfluids in one-dimensional quasiperdiodic lattices", Phys. Rev. A 90, 061602(R) (2014)
  4. G. Carleo, F. Becca, L. Sanchez-Palencia, S. Sorella, M. Fabrizio, "Light-cone effect and supersonic correlations in bosonic superfluids", Phys.Rev. A 89, 031602 (Rapid Comm.) (2014) ; arXiv:1310.2246 ; hal-00871090
  5. S. Lellouch, T.-L. Dao, T. Koffel, and L. Sanchez-Palencia, "Two-component Bose gases with one-body and two-body couplings", Phys.Rev. A 88, 063646 (2013) ; arXiv:1307.0488 ; hal-00839980
  6. G. Carleo, G. Boéris, M. Holzmann, and L. Sanchez-Palencia, "Universal Superfluid Transition and Transport Properties of Two-Dimensional Dirty Bosons", Phys. Rev. Lett. 111, 050406 (2013) ; arXiv:1305.3032 ; hal-00822056
  7. M. Piraud, L. Pezzé, and L. Sanchez-Palencia, "Quantum transport of atomic matterwaves in anisotropic two-dimensional and three-dimensional disorder", New J. Phys. 15, 075007 (2013) ; arXiv:1211.5872 ; hal-00756831
  8. M. Piraud and L. Sanchez-Palencia, "Tailoring Anderson localization by disorder correlations in 1D speckle potentials", Eur. Phys. J. ST 217, 91 (2013)
  9. M. Piraud, L. Pezzé, and L. Sanchez-Palencia, "Matter wave transport and Anderson localization in anisotropic 3D disorder", Europhysics Letters 99, 50003 (2012)
  10. M. Piraud, A. Aspect and L. Sanchez-Palencia, "Anderson localization of matter waves in tailored speckle potentials", Physical Review A 85, 063611 (2012)
  11. F. Jendrzejewski, A. Bernard, K. Mueller, P. Cheinet, V. Josse, M. Piraud, L. Pezzé, L. Sanchez-Palencia, A. Aspect, and P. Bouyer, "Three-dimensional localization of ultracold atoms in an optical disordered potential", Nature Physics 8, 398 (2012)
  12. L. Pezzé, M. Robert-de-Saint-Vincent, T. Bourdel, J.-P. Brantut, B. Allard, T. Plisson, A. Aspect, P. Bouyer and L. Sanchez-Palencia, "Regimes of classical transport of cold gases in a two-dimensional anisotropic disorder" New J. Phys 13, 095015 (2011)
  13. P. Lugan and L. Sanchez-Palencia, "Localization of Bogoliubov quasiparticles in interacting Bose gases with correlated disorder", Physical Review A 84, 013612 (2011)
  14. M. Piraud, P. Lugan, P. Bouyer, A. Aspect and L. Sanchez-Palencia," Localization of a matter wave packet in a disordered potential", Physical Review A 83, 031603(R) (2011)



Stage : "Conteneurs dans un environnement HPC"

Rapport de stage de Jiaming HU :

PDF - 1.7 Mo
(mai - août 2017)

Stage : "Machines virtuelles et haute disponibilité"

Rapport de stage de Mahdi HAMMOUCHE :

PDF - 1.2 Mo
(juin - septembre 2016)

Stage : "Grappe de calcul HPC à éléments délocalisés"

Rapport de stage de Brahim BIKI :

PDF - 1.4 Mo
(mai-août 2015)

Stage : "Optimisation des ressources d’un cluster pour le calcul scientifique"

Rapport de stage de Damien Delhay :

PDF - 1.4 Mo
(mai-juillet 2014)

Stage : "Diagonalisation des matrices réelles sur GPU"

Rapport de stage de Kun SONG :

PDF - 803.4 ko
(mai - août 2013)

Stage : "Optimisation du transfert de données entre un CPU et un GPU"

Rapport de stage de Jean YAOKELI :

PDF - 915.4 ko
(mai - août 2012)