Publications of Luca M. Ghiringhelli

Journal Article (54)

Journal Article
Zhao, X.; Shao, X.; Fujimori, Y.; Bhattacharya, S.; Ghiringhelli, L. M.; Freund, H.-J.; Sterrer, M.; Nilius, N.; Levchenko, S. V.: Formation of Water Chains on CaO(001): What Drives the 1D Growth? The Journal of Physical Chemistry Letters 6 (7), pp. 1204 - 1208 (2015)
Journal Article
Ghiringhelli, L. M.; Vybiral, J.; Levchenko, S. V.; Draxl, C.; Scheffler, M.: Big Data of Materials science: Critical Role of the Descriptor. Physical Review Letters 114 (10), 105503 (2015)
Journal Article
Peköz, R.; Wörner, S.; Ghiringhelli, L. M.; Donadio, D.: Trends in the Adsorption and Dissociation of Water Clusters on Flat and Stepped Metallic Surfaces. The Journal of Physical Chemistry C 118 (51), pp. 29990 - 29998 (2014)
Journal Article
Bhattacharya, S.; Levchenko, S. V.; Ghiringhelli, L. M.; Scheffler, M.: 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
Peng, Y.; Ghiringhelli, L. M.; Appel, H.: A quantum reactive scattering perspective on electronic nonadiabaticity. The European Physical Journal B: Condensend Matter Physics 87 (7), 155 (2014)
Journal Article
Beret, E. C.; Wijk, M. v.; Ghiringhelli, L. M.: Reaction cycles and poisoning in catalysis by gold clusters: a thermodynamics approach. International Journal of Quantum Chemistry 114 (1), pp. 57 - 65 (2014)
Journal Article
Bhattacharya, S.; Levchenko, S. V.; Ghiringhelli, L. M.; Scheffler, M.: 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
Ghiringhelli, L. M.; Gruene, P.; Lyon, J. T.; Rayner, D. M.; Meijer, G.; Fielicke, A.; Scheffler, M.: 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
Delle Site, L.; Ghiringhelli, L. M.; Ceperley, D. M.: Electronic energy functionals: Levy–Lieb principle within the ground state path integral quantum Monte Carlo. International Journal of Quantum Chemistry 113 (2), pp. 155 - 160 (2013)
Journal Article
Donadio, D.; Ghiringhelli, L. M.; Delle Site, L.: Autocatalytic and Cooperatively Stabilized Dissociation of Water on a Stepped Platinum Surface. Journal of the American Chemical Society 134 (46), pp. 19217 - 19222 (2012)
Journal Article
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)
Journal Article
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)
Journal Article
Beret, E. C.; Ghiringhelli, L. M.; Scheffler, M.: Free gold clusters: beyond the static, monostructure description. Faraday Discussions 152 (1), pp. 153 - 167 (2011)
Journal Article
Li, T.; Donadio, D.; Ghiringhelli, L. M.; Galli, G.: Surface-induced crystallization in supercooled tetrahedral liquids. Nature Materials 8 (9), pp. 726 - 730 (2009)

Book Chapter (2)

Book Chapter
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)
Book Chapter
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)

Talk (117)

Talk
Ghiringhelli, L. M.: Ontologies in Computational Materials Science: The NOMAD Experience. Workshop, Ontologies for Materials-Databases Interoperability (OMDI2021), Online Event (2021)
Talk
Ghiringhelli, L. M.: Compressed Sensing Meets Symbolic Regression: Learning Interpretable Models. BIG DATA SUMMER – A summer school of the BiGmax Network, Online Event (2021)
Talk
Ghiringhelli, L. M.: Symbolic Inference for Small-Data-Driven Materials Science. Workshop, Computational Spintronics Group, Trinity College Dublin, Dublin, Ireland (2021)
Talk
Ghiringhelli, L. M.: Data-Driven Materials Maps: Symbolic Inference Applied to Heterogeneous Catalysis. ACS Fall Meeting 2021, Online Event (2021)
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