Publications of Luca M. Ghiringhelli

Journal Article

Goldsmith, Bryan, Mario Boley, Jilles Vreeken, Matthias Scheffler and Luca M. Ghiringhelli: Uncovering structure-property relationships of materials by subgroup discovery.

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supplementary-material

Journal Article

Seshaditya, A., Luca M. Ghiringhelli and Luigi Delle Site: Levy-Lieb-Based Monte Carlo Study of the Dimensionality Behaviour of the Electronic Kinetic Functional.

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Journal Article

Yu, Chongqi, Wolfgang Harbich, Luca Sementa, Luca M. Ghiringhelli, Edoardo Aprá, Mauro Stener, Alessandro Fortunelli and Harald Brune: Erratum: “Intense fluorescence of Au₂₀” [J. Chem. Phys147, 074301 (2017)].

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Journal Article

Yu, Chongqi, Wolfgang Harbich, Luca Sementa, Luca M. Ghiringhelli, Edoardo Apra, Mauro Stener, Alessandro Fortunelli and Harald Brune: Intense fluorescence of Au₂₀.

MPG.PuRe

supplementary-material

2016

Journal Article

Reilly, Anthony M., Richard I. Cooper, Claire S. Adjiman, Saswata Bhattacharya, A.Daniel Boese, Jan Gerit Brandenburg, Peter J. Bygrave, Rita Bylsma, Josh E. Campbell, Roberto Car, David H. Case, Renu Chadha, Jason C. Cole, Katherine Cosburn, Herma M. Cuppen, Farren Curtis, Graeme M. Day, Robert A. DiStasio Jr, Alexander Dzyabchenko, Bouke P. van Eijck, Dennis M. Elking, Joost A. van den Ende, Julio C. Facelli, Marta B. Ferraro, Laszlo Fusti-Molnar, Christina-Anna Gatsiou, Thomas S. Gee, René de Gelder, Luca M. Ghiringhelli, Hitoshi Goto, Stefan Grimme, Rui Guo, Detlef W.M. Hofmann, Johannes Hoja, Rebecca K. Hylton, Luca Iuzzolino, Wojciech Jankiewicz, Daniël T. de Jong, John Kendrick, Niek J.J. de Klerk, Hsin-Yu Ko, Liudmila N. Kuleshova, Xiayue Li, Sanjaya Lohani, Frank J.J. Leusen, Albert M. Lund, Jian Lv, Yanming Ma, Noa Marom, Artëm E. Masunov, Patrick McCabe, David P. McMahon, Hugo Meekes, Michael P. Metz, Alston J. Misquitta, Sharmarke Mohamed, Bartomeu Monserrat, Richard J. Needs, Marcus A. Neumann, Jonas Nyman, Shigeaki Obata, Harald Oberhofer, Artem R. Oganov, Anita M. Orendt, Gabriel I. Pagola, Constantinos C. Pantelides, Chris J. Pickard, Rafal Podeszwa, Louise S. Price, Sarah L. Price, Angeles Pulido, Murray G. Read, Karsten Reuter, Elia Schneider, Christoph Schober, Gregory P. Shields, Pawanpreet Singh, Isaac J. Sugden, Krzysztof Szalewicz, Christopher R. Taylor, Alexandre Tkatchenko, Mark E. Tuckerman, Francesca Vacarro, Manolis Vasileiadis, Alvaro Vazquez-Mayagoitia, Leslie Vogt, Yanchao Wang, Rona E. Watson, Gilles A. de Wijs, Jack Yang, Qiang Zhu and Colin R. Groom: Report on the sixth blind test of organic crystal structure prediction methods.

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supplementary-material

2015

Journal Article

Bhattacharya, Saswata, Benjamin H. Sonin, Christopher J. Jumonville, Luca M. Ghiringhelli and Noa Marom: Computational design of nanoclusters by property-based genetic algorithms: Tuning the electronic properties of (TiO₂ )_n clusters.

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Journal Article

Ghiringhelli, Luca M. and Sergey V. Levchenko: Strengthening gold-gold bonds by complexing gold clusters with noble gases.

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Journal Article

Ghiringhelli, Luca M., Jan Vybiral, Sergey V. Levchenko, Claudia Draxl and Matthias Scheffler: Big Data of Materials science: Critical Role of the Descriptor.

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Journal Article

Zhao, Xunhua, Xiang Shao, Yuichi Fujimori, Saswata Bhattacharya, Luca M. Ghiringhelli, Hans-Joachim Freund, Martin Sterrer, Niklas Nilius and Sergey V. Levchenko: Formation of Water Chains on CaO(001): What Drives the 1D Growth?

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2014

Journal Article

Beret, Elizabeth C., Merel van Wijk and Luca M. Ghiringhelli: Reaction cycles and poisoning in catalysis by gold clusters: a thermodynamics approach.

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Journal Article

Bhattacharya, Saswata, Sergey V. Levchenko, Luca M. Ghiringhelli and Matthias Scheffler: Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: benchmark of cascade genetic algorithms.

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Journal Article

Peköz, Rengin, Svenja Wörner, Luca M. Ghiringhelli and Davide Donadio: Trends in the Adsorption and Dissociation of Water Clusters on Flat and Stepped Metallic Surfaces.

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Journal Article

Peng, Yang, Luca M. Ghiringhelli and Heiko Appel: A quantum reactive scattering perspective on electronic nonadiabaticity.

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2013

Journal Article

Bhattacharya, Saswata, Sergey V. Levchenko, Luca M. Ghiringhelli and Matthias Scheffler: Stability and metastability of clusters in a reactive atmosphere: Theoretical evidence for unexpected stoichiometries of Mg_MO_x.

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Journal Article

Delle Site, Luigi, Luca M. Ghiringhelli and David M. Ceperley: Electronic energy functionals: Levy–Lieb principle within the ground state path integral quantum Monte Carlo.

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Journal Article

Ghiringhelli, Luca M., Philipp Gruene, Jonathan T. Lyon, David M. Rayner, Gerard Meijer, André Fielicke and Matthias Scheffler: Not so loosely bound rare gas atoms: finite-temperature vibrational fingerprints of neutral gold-cluster complexes.

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2012

Journal Article

Donadio, Davide, Luca M. Ghiringhelli and Luigi Delle Site: Autocatalytic and Cooperatively Stabilized Dissociation of Water on a Stepped Platinum Surface.

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pre-print

2011

Journal Article

Beret, Elizabeth C., Luca M. Ghiringhelli and Matthias Scheffler: Free gold clusters: beyond the static, monostructure description.

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Journal Article

Carlsson, Johan M., Luca M. Ghiringhelli and Annalisa Fasolino: Theory and hierarchical calculations of the structure and energetics of [0001] tilt grain boundaries in graphene.

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