Publications of Luca M. Ghiringhelli

Carlsson, J. M.; Ghiringhelli, L. M.; Fasolino, A.: Theory and hierarchical calculations of the structure and energetics of [0001] tilt grain boundaries in graphene. Physical review / B 84 (16), 165423 (2011)

Scipioni, R.; Doandio, D.; Ghiringhelli, L. M.; Delle Site, L.: Proton Wires via One-Dimensional Water Chains Adsorbed on Metallic Steps. Journal of Chemical Theory and Computation 7 (9), pp. 2681 - 2684 (2011)

Beret, E. C.; Ghiringhelli, L. M.; Scheffler, M.: Free gold clusters: beyond the static, monostructure description. Faraday Discussions 152 (1), pp. 153 - 167 (2011)

Scipioni, R.; Donadio, D.; Ghiringhelli, L. M.; Delle Site, L.: Proton Wires via One-Dimensional Water Chains Adsorbed on Metallic Steps. Journal of Chemical Theory and Computation 7 (9), pp. 2681 - 2684 (2011)

Ghiringhelli, L. M.; Delle Site, L.; Mosna, R. A.; Hamilton, I. P.: Information-theoretic approach to kinetic-energy functionals: the nearly uniform electron gas. Journal of Mathematical Chemistry 48 (1), pp. 78 - 82 (2010)

Ghiringhelli, L. M.; Hamilton, I. P.; Delle Site, L.: Interacting electrons, spin statistics, and information theory. Journal of Chemical Physics 132 (1), 014106 (2010)

Li, T.; Donadio, D.; Ghiringhelli, L. M.; Galli, G.: Surface-induced crystallization in supercooled tetrahedral liquids. Nature Materials 8 (9), pp. 726 - 730 (2009)

Ghiringhelli, L. M.; Delle Site, L.: Phenylalanine near inorganic surfaces: Conformational statistics vs specific chemistry. Journal of the American Chemical Society 130 (8), pp. 2634 - 2638 (2008)

Ghiringhelli, L. M.; Delle Site, L.: Design of kinetic functionals for many-body electron systems: Combining analytical theory with Monte Carlo sampling of electronic configurations. Physical Review B 77 (7), 073104 (2008)

Ghiringhelli, L. M.; Hess, B.; van der Vegt, N. F. A.; Delle Site, L.: Competing adsorption between hydrated peptides and water onto metal surfaces: From electronic to conformational properties. Journal of the American Chemical Society 130 (40), pp. 13460 - 13464 (2008)

Ghiringhelli, L. M.; Valeriani, C.; Los, J. H.; Meijer, E. J.; Fasolino, A.; Frenkel, D.: State-of-the-art models for the phase diagram of carbon and diamond nucleation. Molecular Physics 106 (16-18), pp. 2011 - 2038 (2008)

Delle Site, L.; Ghiringhelli, L. M.; Andreussi, O.; Donadio, D.; Parrinello, M.: The interplay between surface-water and hydrogen bonding in a water adlayer on Pt(111) and Ag(111). Journal of Physics: Condensed Matter 19 (24), 242101 (2007)

Ghiringhelli, L. M.; Caputo, R.; Delle Site, L.: 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. Physical Review B 75 (11), 113403 (2007)

Ghiringhelli, L. M.; Caputo, R.; Delle Site, L.: Alkanethiol headgroup on metal (111)-surfaces: general features of the adsorption onto group 10 and 11 transition metals. Journal of Physics: Condensed Matter 19 (17), 176004 (2007)

Ghiringhelli, L. M.; Meijer, E. J.: Simulating the phosphorus fluid-liquid phase transition up to the critical point. Journal of Physics: Condensed Matter 19 (41), 416104 (2007)

Schravendijk, P.; Ghiringhelli, L. M.; Delle Site, L.; van der Vegt, N. F. A.: Interaction of hydrated amino acids with metal surfaces: A multiscale modeling description. The Journal of Physical Chemistry C 111 (6), pp. 2631 - 2642 (2007)

Ghiringhelli, L. M.; Schravendijk, P.; Delle Site, L.: Adsorption of alanine on a Ni(111) surface: A multiscale modeling oriented density functional study. Physical Review B 74 (3), 035437 (2006)

Mazheika, A.; Levchenko, S. V.; Ghiringhelli, L. M.; Scheffler, M.: Materials for turning greenhouse gases into useful chemicals and fuels: a route identified by high-throughput calculations and artificial intelligence. In: High-Performance Computing and Data Science in the Max Planck Society, pp. 44 - 46. Max Planck Computing and Data Facility, Garching (2021)

Ghiringhelli, L. M.: Application of (Kohn-Sham) Density-Functional Theory to Real Materials. In: Many-Electron Approaches in Physics, Chemistry and Mathematics: A Multidisciplinary View, pp. 191 - 206 (Eds. Bach, V.; Delle Site, L.). Springer, Cham (2014)

Donadio, D.; Peköz, R.; Woerner, S.; Ghiringhelli, L. M.; Delle Site, L.: Autocatalytic and cooperatively-stabilized dissociative adsorption of water on stepped metal surfaces. In Abstracts of Papers of the American Chemical Society, 245, 7-COMP. (2013)