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Profile
| Academic position | Full Professor |
|---|---|
| Research fields | Computer-Aided Design of Materials and Simulation of Materials Behaviour from Atomic to Microscopic Scale,Theoretical Chemistry: Molecules, Materials, Surfaces,Experimental Condensed Matter Physics |
| Keywords | Empirical potential modelling, Free energy calculations, Multiscale methods, Density functional theory, Parallel tempering (a.k.a. replica exchange) |
Current contact address
| Country | Germany |
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| City | Karlsruhe |
| Institution | Karlsruher Institut für Technologie (KIT) |
Host during sponsorship
| Prof. Dr. Kurt Kremer | Forschergruppe Theorie der Polymere, Max-Planck-Institut für Polymerforschung, Mainz |
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| Start of initial sponsorship | 01/11/2006 |
Programme(s)
| 2006 | Humboldt Research Fellowship Programme |
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Publications (partial selection)
| 2007 | Luca M Ghiringhelli, Riccarda Caputo and Luigi Delle Site: Alkanethiol headgroup on metal (111)-surfaces: general features of the adsorption onto group 10 and 11 transition metals. In: J. Phys.: Condens. Matter, 2007, 176004 |
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| 2007 | Pim Schravendijk, Luca M. Ghiringhelli, Luigi Delle Site, and Nico F.A. van der Vegt: Interaction of Hydrated Amino Acids with Metal Surfaces: A Multiscale Modeling Description. In: J. Phys. Chem. C, 2007, 2631-2642 |
| 2007 | Luca M. Ghiringhelli, Riccarda Caputo, and Luigi Delle Site: Phenol near Ni(111), Ni(110), and Ni(221) surfaces in a vertical ring geometry: A density functional study of the oxygen-surface bonding and O-H cleavage. In: PHYSICAL REVIEW B, 2007, 113403 |
| 2007 | Luigi Delle Site, Luca M Ghiringhelli, Oliviero Andreussi, Davide Donadio, and Michele Parrinello: The interplay between surface¿water and hydrogen bonding in a water adlayer on Pt(111) and Ag(111). In: J. Phys.: Condens. Matter (FAST TRACK COMMUNICATION), 2007, 242101 |
| 2006 | Luca Massimiliano Ghiringhelli, Pim Schravendijk, Luigi Delle Site: Adsorption of alanine on a Ni(111) surface: A multiscale modeling oriented density functional study. In: PHYSICAL REVIEW B, 2006, 035437 |