Publications of Luca M. Ghiringhelli
All genres
Journal Article (79)
2012
Journal Article
134 (46), pp. 19217 - 19222 (2012)
Autocatalytic and Cooperatively Stabilized Dissociation of Water on a Stepped Platinum Surface. Journal of the American Chemical Society
Journal Article
134 (46), pp. 19217 - 19222 (2012)
Autocatalytic and Cooperatively Stabilized Dissociation of Water on a Stepped Platinum Surface. Journal of the American Chemical Society 2011
Journal Article
84 (16), 165423 (2011)
Theory and hierarchical calculations of the structure and energetics of [0001] tilt grain boundaries in graphene. Physical review / B
Journal Article
7 (9), pp. 2681 - 2684 (2011)
Proton Wires via One-Dimensional Water Chains Adsorbed on Metallic Steps. Journal of Chemical Theory and Computation
Journal Article
152 (1), pp. 153 - 167 (2011)
Free gold clusters: beyond the static, monostructure description. Faraday Discussions
Journal Article
7 (9), pp. 2681 - 2684 (2011)
Proton Wires via One-Dimensional Water Chains Adsorbed on Metallic Steps. Journal of Chemical Theory and Computation 2010
Journal Article
48 (1), pp. 78 - 82 (2010)
Information-theoretic approach to kinetic-energy functionals: the nearly uniform electron gas. Journal of Mathematical Chemistry
Journal Article
132 (1), 014106 (2010)
Interacting electrons, spin statistics, and information theory. Journal of Chemical Physics 2009
Journal Article
8 (9), pp. 726 - 730 (2009)
Surface-induced crystallization in supercooled tetrahedral liquids. Nature Materials 2008
Journal Article
130 (8), pp. 2634 - 2638 (2008)
Phenylalanine near inorganic surfaces: Conformational statistics vs specific chemistry. Journal of the American Chemical Society
Journal Article
77 (7), 073104 (2008)
Design of kinetic functionals for many-body electron systems: Combining analytical theory with Monte Carlo sampling of electronic configurations. Physical Review B
Journal Article
130 (40), pp. 13460 - 13464 (2008)
Competing adsorption between hydrated peptides and water onto metal surfaces: From electronic to conformational properties. Journal of the American Chemical Society
Journal Article
106 (16-18), pp. 2011 - 2038 (2008)
State-of-the-art models for the phase diagram of carbon and diamond nucleation. Molecular Physics 2007
Journal Article
19 (24), 242101 (2007)
The interplay between surface-water and hydrogen bonding in a water adlayer on Pt(111) and Ag(111). Journal of Physics: Condensed Matter
Journal Article
75 (11), 113403 (2007)
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
Journal Article
19 (17), 176004 (2007)
Alkanethiol headgroup on metal (111)-surfaces: general features of the adsorption onto group 10 and 11 transition metals. Journal of Physics: Condensed Matter
Journal Article
19 (41), 416104 (2007)
Simulating the phosphorus fluid-liquid phase transition up to the critical point. Journal of Physics: Condensed Matter
Journal Article
111 (6), pp. 2631 - 2642 (2007)
Interaction of hydrated amino acids with metal surfaces: A multiscale modeling description. The Journal of Physical Chemistry C 2006
Journal Article
74 (3), 035437 (2006)
Adsorption of alanine on a Ni(111) surface: A multiscale modeling oriented density functional study. Physical Review B Book Chapter (2)
2021
Book Chapter
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)