Publications of Luca M. Ghiringhelli

Journal Article (49)

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 (90)

Talk
Ghiringhelli, L. M.: Metadata Towards FAIR Data Sharing for Data-Driven Materials Science: Achievements and Open Challenges. Shared metadata and data formats for Big-Data Driven Materials Science: A NOMAD-FAIRDI workshop, Berlin, Germany (2019)
Talk
Ghiringhelli, L. M.: Charting Spaces of Materials Properties. CPMD Meeting 2019 - Pushing the Boundaries of Molecular Dynamics, Lausanne, Switzerland (2019)
Talk
Ghiringhelli, L. M.: Charting Materials-Properties Spaces. E-MRS Spring Meeting 2019, SYMPOSIUM AA: Computations for materials discovery, design and the role of data, Nice, France (2019)
Talk
Ghiringhelli, L. M.: Data-Driven Materials Science: The Critical Role of the Descriptor. Seminar, University of Warwick, Coventry, UK (2019)
Talk
Ghiringhelli, L. M.: Exploring the Materials Space via Regularized and Symbolic Regression. ML4MS 2019, Young Researcher’s Workshop on Machine Learning for Materials Science 2019, Aalto University, Helsinki, Finland (2019)
Talk
Ghiringhelli, L. M.: Metadata Towards FAIR Data Sharing for Data-Driven Materials Science: Achievements and Open Challenges. FHI-Workshop on Current Research Topics at the FHI, Potsdam, Germany (2019)
Talk
Ghiringhelli, L. M.: Compressed Sensing for Data-Driven Materials Science. BiGmax Workshop 2019 on Big-data-driven Materials Science, Dresden, Germany (2019)
Talk
Ghiringhelli, L. M.: Topics in Data-Driven Materials Science: Crowd Sourcing and Maps of Material Properties. PRESTO International Symposium on Materials Informatics, Tokyo, Japan (2019)
Talk
Ghiringhelli, L. M.: Data-Driven Cartography of Materials Properties. Workshop on Crystal Structure Prediction: Exploring the Mendeleev Table as a Palette to Design New Materials, International Centre for Theoretical Physics (ICTP), Trieste, Italy (2019)
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