Publications of Luca M. Ghiringhelli
All genres
Journal Article (54)
Journal Article
128 (24), 246101 (2022)
Ab Initio Approach for Thermodynamic Surface Phases with Full Consideration of Anharmonic Effects: The Example of Hydrogen at Si(100). Physical Review Letters
Journal Article
8, 69 (2022)
Numerical quality control for DFT-based materials databases. npj Computational Materials
Journal Article
8, 70 (2022)
Finding predictive models for singlet fission by machine learning. npj Computational Materials
Journal Article
7 (71), 3960 (2022)
SISSO++: A C++ Implementation of the Sure-Independence Screening and Sparisifying Operator Approach. The Journal of Open Source Software
Journal Article
12 (4), pp. 2233 - 2232 (2022)
Learning Design Rules for Selective Oxidation Catalysts from High-Throughput Experimentation and Artificial Intelligence. ACS Catalysis
Journal Article
65 (1-4), pp. 196 - 206 (2022)
Identifying Outstanding Transition‑Metal‑Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery. Topics in Catalysis
Journal Article
65 (1-4), p. 207 - 207 (2022)
Correction to: Identifying Outstanding Transition-Metal-Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery. Topics in Catalysis
Journal Article
13, 419 (2022)
Artificial-intelligence-driven discovery of catalyst genes with application to CO2 activation on semiconductor oxides. Nature Communications
Journal Article
46 (11), pp. 1016 - 1026 (2021)
Materials genes of heterogeneous catalysis from clean experiments and artificial intelligence. MRS Bulletin
Journal Article
12 (1), 6234 (2021)
Robust recognition and exploratory analysis of crystal structures via Bayesian deep learning. Nature Communications
Journal Article
3 (1), pp. 1 - 12 (2021)
Trends in Atomistic Simulation Software Usage [Articlev1.0]. Living Journal of Computational Molecular Science
Journal Article
155 (3), 039901 (2021)
Publisher's Note: "Data-driven equation for drug-membrane permeability across drugs and membranes" [J. J. chem. Phys. 154, 244114 (2021)]. The Journal of Chemical Physics
Journal Article
154 (24), 244114 (2021)
Data-driven equation for drug-membrane permeability across drugs and membranes. The Journal of Chemical Physics
Journal Article
4 (12), 125001 (2020)
Investigating the ranges of (meta)stable phase formation in (InxGa1−x)2O3: Impact of the cation coordination. Physical Review Materials
Journal Article
63 (19-20), pp. 1683 - 1699 (2020)
Towards Experimental Handbooks in Catalysis. Topics in Catalysis
Journal Article
11, 4428 (2020)
Identifying domains of applicability of machine learning models for materials science. Nature Communications
Journal Article
4 (3), 034204 (2020)
Artificial intelligence for high-throughput discovery of topological insulators: The example of alloyed tetradymites. Physical Review Materials
Journal Article
58 (22), pp. 14939 - 14980 (2019)
Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications. Inorganic Chemistry
Journal Article
5, 111 (2019)
Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition. npj Computational Materials
Journal Article
100 (17), 174106 (2019)
Determining surface phase diagrams including anharmonic effects. Physical Review B