EUSpec Training School on Multiple Scattering Codes : June 2016
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1 EUSpec Training School on Multiple Scattering Codes : h15 8h45 8h45 9h00 9h00 9h45 9h45 10h30 10h30 11h00 1 st day : theory courses on multiple scattering (Louis Antoine Hall, Buiding 2) Registration + welcome coffee (R. Römling Engl, E. Robin) Welcome of the participants ( and K. Hatada) (Rennes) : Introduction to (multiple) scattering theory Jan Minár (Munich) : Multiple scattering formalism as a basis for electronic structure calculations 11h00 11h45 K. Hatada (Rennes) : Full potential multiple scattering theory space with space filling cells in real space 11h45 12h30 12h30 13h30 13h30 14h15 14h15 15h00 15h00 15h45 C. R. Natoli (Frascati) : Computing the potential : the phagen_scf code O. Šipr (Prague) : DMFT and multiple scattering theory M. Benfatto (Frascati) : MXAN and Molecular Dynamic: a new way to look to the XANES energy region A. Di Cicco (Camerino) : X ray absorption spectroscopy and n body distribution functions: theoretical background of the GNXAS data analysis method 15h45 16h15 + posters installation (posters in rooms , building 2) 16h15 17h00 17h00 17h45 P. Krüger (Chiba) : Multichannel multiple scattering in R matrix formalism A. Taranukhina (Rostov) : Multiple scattering in Green's function formalism: one channel and multichannel versions
2 days 2 4 : training on the computer codes : MXAN (Frascati), GNXAS (Camerino), MsSpec (Rennes), FPMS (Rennes), MCMS (Chiba) : hands on in room 250, 2nd floor of building 2, posters in rooms and coffee in room 203 Tuesday the 28th 8h30 10h30 Hands on MXAN 1 : M.Benfatto/E. Pace Wednesday the 29th Hands on MsSpec 1 : /T. Jaouen Thursday the 30th Hands on MCMS 1 : P. Krüger/A. Koide 10h30 11h00 /posters /posters /posters 11h00 12h30 Hands on MXAN 2 : M.Benfatto/E. Pace Hands on MsSpec 2: /T. Jaouen Hands on MCMS 2: P. Krüger/A. Koide 12h30 13h30 13h30 15h30 Hands on GNXAS 1 : A. Di Cicco/M. Minicucci Hands on FPMS 1 : K. Hatada/A. Koide Hands on : MXAN, GNXAS, MsSpec, FPMS, MCMS 15h30 16h00 /posters /posters /posters 16h00 17h30 17h30 18h30 19h00 22h30 Hands on GNXAS 2: A. Di Cicco/ M. Minicucci Local beers tasting session (Club des Professeurs) Hands on FPMS 2 : K. Hatada/A. Koide Visit of Parlement de Bretagne at 17h30 Workshop dinner at the Paris New York restaurant Poster session Best poster prize Conclusion WG2 WG5 meeting (organised by B. Brena and M. Pedio) room 207 EUSpec management committee meeting room 207 Reception at the Town Hall at 18:30
3 MSNano conference: 1 2 July st of July 2016: 4 th MSNano workshop : amphitheater M, building 42 (ESIR) Time Talk Chair 8h00 8h30 8h30 8h45 8h45 9h10 9h10 9h35 9h35 10h00 10h00 10h25 10h25 10h40 10h40 11h05 Registration (R. Römling Engl, E. Robin) Welcome (, H. Ebert) Obituaries : W. Temmerman (H. Ebert), Z. Wu (A. Marcelli), W. Kohn (J. J. Rehr) M. Cammarata (Rennes) : Time resolved X ray absorption Experiments (6 to 18 kev) at Synchrotrons and Free Electron Lasers A. Di Cicco (Camerino) : X ray absorption with free electron lasers: first results at Fermi@Elettra O. Šipr (Prague) : Full potential polarized XANES calculation by combining pseudopotential and multiple scattering methods: A poor man's solution H. Ebert (Munich) : Inclusion of temperature effects in the calculations of response properties C. R. Natoli (Frascati) : Investigation of the ground state of Au supported FePc Film based on the interpretation of Fe K and L edge XMCD K. Hatada K. Hatada A. Gellé A. Gellé H. Ebert 11h05 11h30 P. Krüger (Chiba) : L edge absorption and dichroism in low symmetry (d0) compounds H. Ebert 11h30 11h55 11h55 12h50 12h50 13h15 A. Taranukhina (Rostov on Don) :Multichannel L absorption calculations by analytic continuation of Green's function onto complex energy plane P. Turban (Rennes) : Ballistic Electron Emission Microscopy : hot electrons for probing interface electronic properties at the nanoscale H. Ebert T. Fujikawa 13h15 13h40 K. Hatada (Rennes) : Multiple scattering theory of BEEM in real space T. Fujikawa 13h40 14h05 C. Godet (Rennes) : Photoelectron energy loss spectroscopy : retrieving the Energy Loss Function from XPS experiments P. Krüger 14h05 14h30 T. Fujikawa (Chiba) : Plasmon losses in core photoemission spectra P. Krüger 14h30 14h55 14h55 15h10 J. Minár (Munich)/K. Hatada (Rennes)/N. Komiya (Chiba) : The ESL library/the ES2MS package P. Krüger 15h10 15h35 (Rennes) : A complete multiple scattering approach to EELS C. Natoli 15h35 16h00 16h00 16h25 16h25 16h50 16h50 17h15 R. Choubisa (Pilani) : Coincidence electron impact ionization processes on atoms and extended targets T. Jaouen (Fribourg) : Layer resolved Auger electron diffraction study of Mg atom incorporation at MgO/Ag(001) interface W. Chu (Hefei) : Structure property relationship of nanomaterials for the energy storage and conversion studied by XAS ans MS calculations C. Zou (Hefei) : The electronic and structural transitions studies of VO 2 epitaxial film by X ray diffraction and polarized X ray absorption spectroscopy C. Natoli C. Natoli 17h15 17h40 T. Miyanaga (Hirosaki) : XAFS study on luminescent Ag zeolites 17h40 18h40 18h40 19h00 Round table: How to extend the ideas of the MSNano network and federate multiple scattering at European level? (room 4, building 41) Conclusion (, H. Ebert) / H. Ebert
4 2 nd of July 2016: A tribute to Rino Natoli for his 75 th birthday (amphitheater M, building 42 ESIR) Time Talk Chair 8h30 9h00 Welcome (, A. Di Cicco) 9h00 9h30 F. Palumbo (Frascati) : C. S. Fadley 9h30 9h45 R. Gunnella (Camerino) : Surfaces: structure and soul chez Rino C. S. Fadley 9h45 10h00 K. Hatada (Rennes) : Revolutionary, Innovative, Novel, Outstanding C. S. Fadley 10h00 10h15 S. Di Matteo (Rennes) : Learning from Rino: Sum Rules, V 2 O 3 & Latino C. S. Fadley 10h15 10h30 10h30 10h45 A. Taranukhina (Rostov on Don) : Multi aqueduct approach to the interaction with Rino Natoli C. S. Fadley 10h45 11h00 P. Krüger (Chiba) : All channels lead to Frascati J. J. Rehr 11h00 11h15 (Minneapolis) : Mott physics with spin orbit coupling and orbital degeneracy: how the ideas on V 2 O 3 lead to the development of a new field in 21st century J. J. Rehr 11h15 11h30 Y. Joly (Grenoble) : Fun with Resonant Diffraction J. J. Rehr 11h30 11h45 K. Palotás (Budapest) : Screened KKR J. J. Rehr 11h45 12h15 12h15 13h30 13h30 14h00 C. Brouder (Paris) : Relativistic effects and gauge invariance in x ray spectroscopy and scattering C. S. Fadley (Berkeley) : Some new developments in the study of bulk materials and buried interfaces with photoemission, and some challenges for theory J. J. Rehr 14h00 14h30 J. J. Rehr (Seattle) : Theory of inelastic losses and satellites in x ray spectra 14h30 15h00 15h00 15h30 15h30 15h45 15h45 16h00 (Hong Kong) : Large molecules on metal surfaces: from C 60 to molecular motors H. Daimon (Nara) : 3D atomic structure analysis around local active atoms by twodimensional photoelectron diffraction and holography H. Ebert (Munich) : Relativistic multiple scattering calculations in the full potential mode 16h00 16h15 R. Zeller (Jülich) : Precise large scale density functional calculations 16h15 16h30 16h30 16h45 P. Sainctavit (Paris): Quantum tunnelling of magnetization and Single Molecule Magnets A. Marcelli (Frascati) : From the MS ideas to the experimental determination of a three body correlation function using XAS 16h45 17h00 G. Stefani (Rome) : Do pairs of electrons diffract as a whole 17h00 17h15 O. Šipr (Prague) : Influence of spin orbit couping on the magnetic dipole term Tz H. Daimon 17h15 17h30 J. García (Zaragoza) : Local Geometry by XAS and RXS H. Daimon 17h30 17h45 T. Fujikawa (Chiba) : Theory of pump probe ultrafast XPS H. Daimon 17h45 18h00 M. Pedio (Trieste) : Full Multiple Scattering applied to XAS of molecular solids H. Daimon 18h00 18h15 J. Minár (Munich/Plzeň) : Multiple scattering meets correlations H. Daimon 18h15 18h30 Conclusion : C. R. Natoli
5 19h30 23h30 Conference dinner : garden party in Montru
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