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Found: 32 publication items in all publications for the time range from: 1990 to: 2019 for:
L.M. GHIRINGHELLI


2019

    C.M. Acosta, R. Ouyang, A. Fazzio, M. Scheffler, L.M. Ghiringhelli and C. Carbogno,
    Analysis of Topological Transitions in Two-dimensional Materials by Compressed Sensing. Submitted to Nature Materials (May 28, 2018).
    Preprint download: pdf
    C.J. Bartel, C. Sutton, B.R. Goldsmith, R. Ouyang, C.B. Musgrave, L.M. Ghiringhelli and M. Scheffler,
    New Tolerance Factor to Predict the Stability of Perovskite Oxides and Halides. Sci. Adv. 5, eaav0693 (2019).
    Reprint download: pdf, Supplementary material: pdf, DOI: 10.1126/sciadv.aav0693
    B.R. Goldsmith, J. Florian, J.-X. Liu, Ph. Gruene, J.T. Lyon, D.M. Rayner, A. Fielicke, M. Scheffler, and L.M. Ghiringhelli
    Two-to-three dimensional transition in neutral gold clusters: The crucial role of van der Waals interactions and temperature. Phys. Rev. Mat. 3, 016002 (2019).
    Reprint download: pdf
    D. Guedes-Sobrinho, W. Wang, I. Hamilton, J.L.F. Da Silva, and L.M. Ghiringhelli
    (Meta-)stability and Core-Shell Dynamics of Gold Nanoclusters at Finite Temperature. J. Phys. Chem. Lett. 10, 685-692 (2019).
    Reprint download: pdf, Supplementary material: pdf, DOI: 10.1021/acs.jpclett.8b03397
    C. Sutton, L.M. Ghiringhelli T. Yamamoto, Y. Lysogorskiy, L. Blumenthal, T. Hammerschmidt, J. Golebiowski, X. Liu, A. Ziletti, and M. Scheffler,
    Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition. npj Computational Materials 5, 111 (2019).
    Reprint download: pdf, Supplementary material: pdf
    I.-Y. Zhang, A.J. Logsdail, X. Ren, S.V. Levchenko, L.M. Ghiringhelli and M. Scheffler,
    Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: Systematic benchmark of the numerical and intrinsic errors in state-of-the-art electronic-structure approximations. New J. Phys. 1, 013025 (2019).
    Reprint download: pdf, DOI: 10.1088/1367-2630/aaf751

2018

    R. Ouyang, S. Curtarolo, E. Ahmetcik, M. Scheffler, and L.M. Ghiringhelli
    SISSO: a compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates . Phys. Rev. Mat. 2, 083802 (2018).
    Reprint download: pdf, Supplementary material: pdf
    A. Ziletti, D. Kumar, M. Scheffler, and L.M. Ghiringhelli
    Insightful classification of crystal structures using deep learning. Nat. Commun. 9 , 2775 (2018).
    Reprint download: pdf

2017

    S. Bhattacharya, D. Berger, K. Reuter, L.M. Ghiringhelli and S.V. Levchenko,
    Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces. Phys. Rev. Materials 1, 071601(R) (2017) .
    Reprint download: pdf, Supplementary material: pdf DOI: 10.1103/PhysRevMaterials.1.071601.
    M. Boley, B.R. Goldsmith, L.M. Ghiringhelli and J. Vreeken,
    Identifying consistent statements about numerical data with dispersion-corrected subgroup discovery. Data Min. Knowl. Disc. 31, 1391 (2017).
    Reprint download: pdf DOI: 10.1007/s10618-017-0520-3.
    L.M. Ghiringhelli C. Carbogno, S.V. Levchenko, F. Mohamed, G. Huhs, M. Lueders, M. Oliveira, and M. Scheffler,
    Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats. npj Computational Materials 3, 46 (2017).
    Reprint download: pdf, Supplementary material: pdf DOI: 10.1038/s41524-017-0048-5.
    L.M. Ghiringhelli J. Vybiral, E. Ahmetcik, R. Ouyang, S.V. Levchenko, C. Draxl, and M. Scheffler,
    Learning physical descriptors for materials science by compressed sensing. New J. Phys. 19, 023017 (2017).
    Reprint download: pdf DOI: 10.1088/1367-2630/aa57bf.
    B.R. Goldsmith, M. Boley, J. Vreeken, M. Scheffler, and L.M. Ghiringhelli
    Uncovering structure-property relationships of materials by subgroup discovery. New J. Phys. 19, 013031 (2017).
    Reprint download: pdf, Supplementary material: pdf DOI: 10.1088/1367-2630/aa57c2.

2016

    L.M. Ghiringhelli C. Carbogno, S. Levchenko, F. Mohamed, G. Huhs, M. Lueders, M. Oliveira, and M. Scheffler,
    ''Towards a Common Format for Computational Materials Science Data. Published as "Ψk Scientific Highlight of the Month", n. 131 (July 2016).
    Reprint download: pdf

2015

    S. Bhattacharya, B. Sonin, C.J. Jumonville, L.M. Ghiringhelli and N. Marom,
    Computational Design of Nanoclusters by Property-Based Genetic Algorithms: Tuning the Electronic Properties of (TiO2)n Clusters. Phys. Rev. B 91, 241115 (2015).
    Reprint download: pdf, Supplementary material: pdf
    L.M. Ghiringhelli and S.V. Levchenko,
    Strengthening gold-gold bonds by complexing gold clusters with noble gases. Inor. Chem. Comm. 55, 153-156 (2015).
    Reprint download: pdf, Supplementary material: pdf
    L.M. Ghiringhelli J. Vybiral, S.V. Levchenko, C. Draxl, and M. Scheffler,
    Big Data of Materials Science: Critical Role of the Descriptor. Phys. Rev. Lett. 114, 105503 (2015).
    Reprint download: pdf, Supplementary material: pdf
    X. Zhao, X. Shao, Y. Fujimori, S. Bhattacharya, L.M. Ghiringhelli H.-J. Freund, M. Sterrer, N. Nilius, and S.V. Levchenko,
    Formation of Water Chains on CaO(001): What Drives the 1D Growth? J. Phys. Chem. Lett. 6, 1204-1208 (2015).
    Reprint download: pdf

2014

    E.C. Beret, M. van Wijk, and L.M. Ghiringhelli
    Reaction cycles and poisoning in catalysis by gold clusters: a thermodynamics approach. Int. J. Quant. Chem. 114, 57-65 (2014).
    Reprint download: pdf
    S. Bhattacharya, S. Levchenko, L.M. Ghiringhelli and M. Scheffler,
    Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: Benchmark of cascade genetic algorithms. New J. Phys. 16, 123016 (2014).
    Reprint download: pdf
    L.M. Ghiringhelli
    Application to (Kohn-Sham) Density-Functional Theory to Real Materials.
    In Many-Electron Approaches in Physics, Chemistry and Mathematics: A Multidisciplinary View., V. Bach and L. Delle Site Editors, Springer (2014).
    Preprint download: pdf
    R. Peköz, S. Wörner, L.M. Ghiringhelli and D. Donadio,
    Trends in the Adsorption and Dissociation of Water Clusters on Flat and Stepped Metallic Surfaces. J. Phys. Chem. C 118, 29990-29998 (2014).
    Reprint download: pdf
    Y. Peng, L.M. Ghiringhelli and H. Appel,
    A quantum reactive scattering perspective on electronic nonadiabaticity. Eur. Phys. J. B 87, 1-13 (2014).
    Reprint download: pdf

2013

    S. Bhattacharya, S. Levchenko, L.M. Ghiringhelli and M. Scheffler,
    Stability and Metastability of Clusters in a Reactive Atmosphere: Theoretical Evidence for Unexpected Stoichiometries of MgMOx. Phys. Rev. Lett. 111, 135501 (2013).
    Reprint download: pdf, Supplementary material: pdf
    L. Delle Site, L.M. Ghiringhelli and D.M. Ceperley
    Electronic Energy Functionals: Levy-Lieb Principle within the Ground State Path Integral Quantum Monte Carlo. Int. J. Quant. Chem. 113, 155-160 (2013).
    Reprint download: pdf.
    L.M. Ghiringhelli P. Gruene, J.T. Lyon, D.M. Rayner, G. Meijer, A. Fielicke, and M. Scheffler,
    Not so loosely bound rare gas atoms: finite-temperature vibrational fingerprints of neutral gold-cluster complexes. New J. Phys. 15, 083003 (2013).
    Reprint download: pdf

2012

    D. Donadio, L.M. Ghiringhelli and L. Delle Site,
    Autocatalytic and Cooperatively Stabilized Dissociation of Water on a Stepped Platinum Surface. J. Am. Chem. Soc. 134, 19217-19222 (2012).
    Reprint download: pdf

2011

    E.C. Beret, L.M. Ghiringhelli and M. Scheffler,
    "Free gold clusters: Beyond the static, mono-structure description". Faraday Discuss. 152 (1), 153-167 (2011).
    Reprint download: pdf
    J.M. Carlsson, L.M. Ghiringhelli and A. Fasolino,
    "Theory and hierarchical calculations of the structure and energetics of [0001] tilt grain boundaries in graphene". Phys. Rev. B 84, 165423 (2011).
    Reprint download: pdf
    R. Scipioni, D. Donadio, L.M. Ghiringhelli and L. Delle Site,
    "Proton Wires via One-Dimensional Water Chains Adsorbed on Metallic Steps". J. Chem. Theory and Comp. 7, 2681-2684 (2011).
    Reprint download: pdf

2010

    L.M. Ghiringhelli and E.J. Meijer,
    "Liquid Carbon: Freezing Line and Structure near Freezing". In: Computer-based modeling of novel carbon systems (other than nanotubes) and their properties. (Eds.) A. Fasolino and L. Colombo. Springer 2010, p. 1-36.
    Reprint download: pdf

2009

    T. Li, D. Donadio, L.M. Ghiringhelli and G. Galli,
    "Surface-induced crystallization in supercooled tetrahedral liquids". Nature Materials 8, 726-730 (2009).
    Reprint download: pdf