Publications of Luca M. Ghiringhelli
All genres
Journal Article (59)
2017
Journal Article
B. Goldsmith, M. Boley, , M. Scheffler and L.M. Ghiringhelli: Uncovering structure-property relationships of materials by subgroup discovery. New Journal of Physics 19 (1), 013031 (2017).
Journal Article
B. Goldsmith, L.M. Ghiringhelli and : Identifying Consistent Statements about Numerical Data with Dispersion-Corrected Subgroup Discovery. , Data Mining and Knowledge Discovery 31 (5), 1391–1418 (2017).
2016
Journal Article
S. Bhattacharya, , , , , , , , , , , , , , , , , , , , , , , , , L.M. Ghiringhelli, , , , , J. Hoja, , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , K. Reuter, , , , , , , , A. Tkatchenko, , , , , , , , , , and : Report on the sixth blind test of organic crystal structure prediction methods. , , , Acta Crystallographica Section B 72 (4), 439–459 (2016).
2015
Journal Article
S. Bhattacharya, , , L.M. Ghiringhelli and : Computational design of nanoclusters by property-based genetic algorithms: Tuning the electronic properties of (TiO2 )n clusters. Physical Review B 91 (24), 241115(R) (2015).
Journal Article
L.M. Ghiringhelli and S.V. Levchenko: Strengthening gold-gold bonds by complexing gold clusters with noble gases. Inorganic Chemistry Communications 55, 153–156 (2015).
Journal Article
X. Zhao, X. Shao, Y. Fujimori, S. Bhattacharya, L.M. Ghiringhelli, H.-J. Freund, M. Sterrer, N. Nilius and S.V. Levchenko: Formation of Water Chains on CaO(001): What Drives the 1D Growth? The Journal of Physical Chemistry Letters 6 (7), 1204–1208 (2015).
Journal Article
L.M. Ghiringhelli, , S.V. Levchenko, and M. Scheffler: Big Data of Materials science: Critical Role of the Descriptor. Physical Review Letters 114 (10), 105503 (2015).
2014
Journal Article
L.M. Ghiringhelli and : Trends in the Adsorption and Dissociation of Water Clusters on Flat and Stepped Metallic Surfaces. , , The Journal of Physical Chemistry C 118 (51), 29990–29998 (2014).
Journal Article
S. Bhattacharya, S.V. Levchenko, L.M. Ghiringhelli and M. Scheffler: Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: benchmark of cascade genetic algorithms. New Journal of Physics 16 (12), 123016 (2014).
Journal Article
Y. Peng, L.M. Ghiringhelli and H. Appel: A quantum reactive scattering perspective on electronic nonadiabaticity. The European Physical Journal B: Condensend Matter Physics 87 (7), 155 (2014).
Journal Article
E.C. Beret, M.van Wijk and L.M. Ghiringhelli: Reaction cycles and poisoning in catalysis by gold clusters: a thermodynamics approach. International Journal of Quantum Chemistry 114 (1), 57–65 (2014).
2013
Journal Article
S. Bhattacharya, S.V. Levchenko, L.M. Ghiringhelli and M. Scheffler: Stability and metastability of clusters in a reactive atmosphere: Theoretical evidence for unexpected stoichiometries of MgMOx. Physical Review Letters 111 (13), 135501 (2013).
Journal Article
L.M. Ghiringhelli, P. Gruene, J.T. Lyon, , G. Meijer, A. Fielicke and M. Scheffler: Not so loosely bound rare gas atoms: finite-temperature vibrational fingerprints of neutral gold-cluster complexes. New Journal of Physics 15 (8), 083003 (2013).
Journal Article
L.M. Ghiringhelli and : Electronic energy functionals: Levy–Lieb principle within the ground state path integral quantum Monte Carlo. , International Journal of Quantum Chemistry 113 (2), 155–160 (2013).
2012
Journal Article
L.M. Ghiringhelli and : Autocatalytic and Cooperatively Stabilized Dissociation of Water on a Stepped Platinum Surface. , Journal of the American Chemical Society 134 (46), 19217–19222 (2012).
2011
Journal Article
J.M. Carlsson, L.M. Ghiringhelli and : Theory and hierarchical calculations of the structure and energetics of [0001] tilt grain boundaries in graphene. Physical review / B 84 (16), 165423 (2011).
Journal Article
L.M. Ghiringhelli and : Proton Wires via One-Dimensional Water Chains Adsorbed on Metallic Steps. , , Journal of Chemical Theory and Computation 7 (9), 2681–2684 (2011).
Journal Article
E.C. Beret, L.M. Ghiringhelli and M. Scheffler: Free gold clusters: beyond the static, monostructure description. Faraday Discussions 152 (1), 153–167 (2011).
2009
Journal Article
L.M. Ghiringhelli and : Surface-induced crystallization in supercooled tetrahedral liquids. , , Nature Materials 8 (9), 726–730 (2009).
Book Chapter (2)
2021
Book Chapter
L.M. Ghiringhelli and M. Scheffler: 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. Max Planck Computing and Data Facility, Garching, 44–46 (2021). , ,