Prof. Dr. Luca Ghiringhelli

Professur für Datenbasierte Materialmodellierung

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 (2019) Zhang IY, Logsdail AJ, Ren X, Levchenko SV, Ghiringhelli LM, Scheffler M Journal article Two-to-three dimensional transition in neutral gold clusters: The crucial role of van der Waals interactions and temperature (2019) Goldsmith BR, Florian J, Liu JX, Gruene P, Lyon JT, Rayner DM, Fielicke A, et al. Journal article Insightful classification of crystal structures using deep learning (2018) Ziletti A, Kumar D, Scheffler M, Ghiringhelli LM Journal article SISSO: A compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates (2018) Ouyang R, Curtarolo S, Ahmetcik E, Scheffler M, Ghiringhelli LM Journal article Structure and Electronic Properties of Transition-Metal/Mg Bimetallic Clusters at Realistic Temperatures and Oxygen Partial Pressures (2018) Saini S, Sarker D, Basera P, Levchenko SV, Ghiringhelli LM, Bhattacharya S Journal article GAtor: A First-Principles Genetic Algorithm for Molecular Crystal Structure Prediction (2018) Curtis F, Li X, Rose T, Vázquez-Mayagoitia Á, Bhattacharya S, Ghiringhelli LM, Marom N Journal article Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces (2017) Bhattacharya S, Berger D, Reuter K, Ghiringhelli LM, Levchenko SV Journal article Towards efficient data exchange and sharing for big-data driven materials science: Metadata and data formats (2017) Ghiringhelli LM, Carbogno C, Levchenko S, Mohamed F, Huhs G, Lüders M, Oliveira M, Scheffler M Journal article, Review article Erratum: "Intense fluorescence of Au20" [J. Chem. Phys. 147, 074301 (2017) (2017) Yu C, Harbich W, Sementa L, Ghiringhelli LM, Aprá E, Stener M, Fortunelli A, Brune H Journal article, Erratum Identifying consistent statements about numerical data with dispersion-corrected subgroup discovery (2017) Boley M, Goldsmith BR, Ghiringhelli LM, Vreeken J Journal article