Publications of Luca M. Ghiringhelli
All genres
Journal Article (59)
Journal Article
C.A. Sutton, , L.M. Ghiringhelli, M. Rupp, and M. Scheffler: Identifying domains of applicability of machine learning models for materials science. Nature Communications 11, 4428 (2020).
Journal Article
G. Cao, R. Ouyang, L.M. Ghiringhelli, M. Scheffler, , C. Carbogno and : Artificial intelligence for high-throughput discovery of topological insulators: The example of alloyed tetradymites. Physical Review Materials 4 (3), 034204 (2020).
Journal Article
L.M. Ghiringhelli, , , , , , , , , , , , , , , , , , , , , , , and : Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications. , , , , , , , , , , Inorganic Chemistry 58 (22), 14939–14980 (2019).
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C.A. Sutton, L.M. Ghiringhelli, , , , , , X.-Y. Liu, A. Ziletti and M. Scheffler: Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition. npj Computational Materials 5, 111 (2019).
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Y. Zhou, M. Scheffler and L.M. Ghiringhelli: Determining surface phase diagrams including anharmonic effects. Physical Review B 100 (17), 174106 (2019).
Journal Article
R. Ouyang, E. Ahmetcik, C. Carbogno, M. Scheffler and L.M. Ghiringhelli: Simultaneous learning of several materials properties from incomplete databases with multi-task SISSO. JPhys Materials 2 (2), 024002 (2019).
Journal Article
C.A. Sutton, , R. Ouyang, , L.M. Ghiringhelli and M. Scheffler: New tolerance factor to predict the stability of perovskite oxides and halides. , Science Advances 5 (2), eaav0693 (2019).
Journal Article
W. Wang, , and L.M. Ghiringhelli: (Meta-)stability and Core–Shell Dynamics of Gold Nanoclusters at Finite Temperature. , The Journal of Physical Chemistry Letters 10, 685–692 (2019).
Journal Article
I.Y. Zhang, , , 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 Journal of Physics 21 (1), 013025 (2019).
Journal Article
B. Goldsmith, , , P. Grüne, J.T. Lyon, , 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. Physical Review Materials 3 (1), 016002 (2019).
Journal Article
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. Physical Review Materials 2 (08), 083802 (2018).
Journal Article
S.V. Levchenko, L.M. Ghiringhelli and : Structure and Electronic Properties of Transition-Metal/Mg Bimetallic Clusters at Realistic Temperatures and Oxygen Partial Pressures. , , , The Journal of Physical Chemistry C 122 (29), 16788–16794 (2018).
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A. Ziletti, , M. Scheffler and L.M. Ghiringhelli: Insightful classification of crystal structures using deep learning. Nature Communications 9, 2775 (2018).
Journal Article
L.M. Ghiringhelli and : GAtor: A First-Principles Genetic Algorithm for Molecular Crystal Structure Prediction. , , , , , Journal of Chemical Theory and Computation 14 (4), 2246–2264 (2018).
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K. Reuter, L.M. Ghiringhelli and S.V. Levchenko: Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces. , , Physical Review Materials 01 (07), 071601 (2017).
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L.M. Ghiringhelli, C. Carbogno, S.V. Levchenko, F.R. Mohamed, , , 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).
Journal Article
L.M. Ghiringhelli, , , and : Erratum: “Intense fluorescence of Au20” [J. Chem. Phys147, 074301 (2017)]. , , , The Journal of Chemical Physics 147 (9), 099901 (2017).
Journal Article
L.M. Ghiringhelli, , , and : Intense fluorescence of Au20. , , , The Journal of Chemical Physics 147 (7), 074301 (2017).
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L.M. Ghiringhelli and : Levy-Lieb-Based Monte Carlo Study of the Dimensionality Behaviour of the Electronic Kinetic Functional. , Computation 5 (2), 30 (2017).
Journal Article
L.M. Ghiringhelli, , E. Ahmetcik, R. Ouyang, S.V. Levchenko, and M. Scheffler: Learning physical descriptors for materials science by compressed sensing. New Journal of Physics 19 (2), 023017 (2017).