Publikationen von Luca M. Ghiringhelli

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

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

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

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

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

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

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

Bhattacharya, S., B.H. Sonin, C.J. Jumonville, L.M. Ghiringhelli und N. Marom: 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. und S.V. Levchenko: Strengthening gold-gold bonds by complexing gold clusters with noble gases. Inorganic Chemistry Communications 55, 153–156 (2015).

Ghiringhelli, L.M., J. Vybiral, S.V. Levchenko, C. Draxl und M. Scheffler: Big Data of Materials science: Critical Role of the Descriptor. Physical Review Letters 114 (10), 105503 (2015).

Zhao, X., X. Shao, Y. Fujimori, S. Bhattacharya, L.M. Ghiringhelli, H.-J. Freund, M. Sterrer, N. Nilius und 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).

Beret, E.C., M.van Wijk und 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).

Bhattacharya, S., S.V. Levchenko, L.M. Ghiringhelli und 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).

Peköz, R., S. Wörner, L.M. Ghiringhelli und D. Donadio: 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).

Peng, Y., L.M. Ghiringhelli und H. Appel: A quantum reactive scattering perspective on electronic nonadiabaticity. The European Physical Journal B: Condensend Matter Physics 87 (7), 155 (2014).

Bhattacharya, S., S.V. Levchenko, L.M. Ghiringhelli und M. Scheffler: 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).

Delle Site, L., L.M. Ghiringhelli und D.M. Ceperley: 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).

Ghiringhelli, L.M., P. Gruene, J.T. Lyon, D.M. Rayner, G. Meijer, A. Fielicke und 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).

Donadio, D., L.M. Ghiringhelli und L. Delle Site: Autocatalytic and Cooperatively Stabilized Dissociation of Water on a Stepped Platinum Surface. Journal of the American Chemical Society 134 (46), 19217–19222 (2012).

Beret, E.C., L.M. Ghiringhelli und M. Scheffler: Free gold clusters: beyond the static, monostructure description. Faraday Discussions 152 (1), 153–167 (2011).