Publications of Luca M. Ghiringhelli

Ghiringhelli, L. M.; Carbogno, C.; Levchenko, S. V.; Mohamed, F. R.; Huhs, G.; Lüders, M.; Oliveira, M.; Scheffler, M.: Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats. npj Computational Materials 3, 46 (2017)

Yu, C.; Harbich, W.; Sementa, L.; Ghiringhelli, L. M.; Aprá, E.; Stener, M.; Fortunelli, A.; Brune, H.: Erratum: “Intense fluorescence of Au₂₀” [J. Chem. Phys147, 074301 (2017)]. The Journal of Chemical Physics 147 (9), 099901 (2017)

Yu, C.; Harbich, W.; Sementa, L.; Ghiringhelli, L. M.; Apra, E.; Stener, M.; Fortunelli, A.; Brune, H.: Intense fluorescence of Au₂₀. The Journal of Chemical Physics 147 (7), 074301 (2017)

Seshaditya, .; Ghiringhelli, L. M.; Delle Site, L.: Levy-Lieb-Based Monte Carlo Study of the Dimensionality Behaviour of the Electronic Kinetic Functional. Computation 5 (2), 30 (2017)

Ghiringhelli, L. M.; Vybiral, J.; Ahmetcik, E.; Ouyang, R.; Levchenko, S. V.; Draxl, C.; Scheffler, M.: Learning physical descriptors for materials science by compressed sensing. New Journal of Physics 19 (2), 023017 (2017)

Goldsmith, B.; Boley, M.; Vreeken, J.; Scheffler, M.; Ghiringhelli, L. M.: Uncovering structure-property relationships of materials by subgroup discovery. New Journal of Physics 19 (1), 013031 (2017)

Boley, M.; Goldsmith, B.; Ghiringhelli, L. M.; Vreeken, J.: Identifying Consistent Statements about Numerical Data with Dispersion-Corrected Subgroup Discovery. Data Mining and Knowledge Discovery 31 (5), pp. 1391 - 1418 (2017)

Reilly, A. M.; Cooper, R. I.; Adjiman, C. S.; Bhattacharya, S.; Boese, A. D.; Brandenburg, J. G.; Bygrave, P. J.; Bylsma, R.; Campbell, J. E.; Car, R. et al.; Case, D. H.; Chadha, R.; Cole, J. C.; Cosburn, K.; Cuppen, H. M.; Curtis, F.; Day, G. M.; DiStasio Jr, R. A.; Dzyabchenko, A.; van Eijck, B. P.; Elking, D. M.; van den Ende, J. A.; Facelli, J. C.; Ferraro, M. B.; Fusti-Molnar, L.; Gatsiou, C.-A.; Gee, T. S.; de Gelder, R.; Ghiringhelli, L. M.; Goto, H.; Grimme, S.; Guo, R.; Hofmann, D. W. M.; Hoja, J.; Hylton, R. K.; Iuzzolino, L.; Jankiewicz, W.; de Jong, D. T.; Kendrick, J.; de Klerk, N. J. J.; Ko, H.-Y.; Kuleshova, L. N.; Li, X.; Lohani, S.; Leusen, F. J. J.; Lund, A. M.; Lv, J.; Ma, Y.; Marom, N.; Masunov, A. E.; McCabe, P.; McMahon, D. P.; Meekes, H.; Metz, M. P.; Misquitta, A. J.; Mohamed, S.; Monserrat, B.; Needs, R. J.; Neumann, M. A.; Nyman, J.; Obata, S.; Oberhofer, H.; Oganov, A. R.; Orendt, A. M.; Pagola, G. I.; Pantelides, C. C.; Pickard, C. J.; Podeszwa, R.; Price, L. S.; Price, S. L.; Pulido, A.; Read, M. G.; Reuter, K.; Schneider, E.; Schober, C.; Shields, G. P.; Singh, P.; Sugden, I. J.; Szalewicz, K.; Taylor, C. R.; Tkatchenko, A.; Tuckerman, M. E.; Vacarro, F.; Vasileiadis, M.; Vazquez-Mayagoitia, A.; Vogt, L.; Wang, Y.; Watson, R. E.; de Wijs, G. A.; Yang, J.; Zhu, Q.; Groom, C. R.: Report on the sixth blind test of organic crystal structure prediction methods. Acta Crystallographica Section B 72 (4), pp. 439 - 459 (2016)

Bhattacharya, S.; Sonin, B. H.; Jumonville, C. J.; Ghiringhelli, L. M.; Marom, N.: 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)

Ghiringhelli, L. M.; Levchenko, S. V.: Strengthening gold-gold bonds by complexing gold clusters with noble gases. Inorganic Chemistry Communications 55, pp. 153 - 156 (2015)

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)

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)

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)

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)

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)

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)

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)

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 Mg_MO_x. Physical Review Letters 111 (13), 135501 (2013)

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)

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)