Publications of Luca M. Ghiringhelli
All genres
Journal Article (61)
1.
Journal Article
9, 179 (2023)
Automatic identification of crystal structures and interfaces via artificial-intelligence-based electron microscopy. npj Computational Materials 2.
Journal Article
159 (11), 114110 (2023)
Recent advances in the SISSO method and their implementation in the SISSO++ Code. The Journal of Chemical Physics 3.
Journal Article
9, 112 (2023)
Accelerating materials-space exploration for thermal insulators by mapping materials properties via artificial intelligence. npj Computational Materials 4.
Journal Article
8, 250 (2022)
The NOMAD Artificial-Intelligence Toolkit: Turning materials-science data into knowledge and understanding. npj Computational Materials 5.
Journal Article
TCMI: a non-parametric mutual-dependence estimator for multivariate continuous distributions. Data Mining and Knowledge Discovery (5), pp. 1815 - 1864 (2022)
6.
Journal Article
4 (2), 023004 (2022)
Roadmap on Machine learning in electronic structure. Electronic Structure 7.
Journal Article
129 (5), 0545301 (2022)
Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskites. Physical Review Letters 8.
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 9.
Journal Article
8, 69 (2022)
Numerical quality control for DFT-based materials databases. npj Computational Materials 10.
Journal Article
8, 70 (2022)
Finding predictive models for singlet fission by machine learning. npj Computational Materials 11.
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 12.
Journal Article
12 (4), pp. 2233 - 2232 (2022)
Learning Design Rules for Selective Oxidation Catalysts from High-Throughput Experimentation and Artificial Intelligence. ACS Catalysis 13.
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 14.
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 15.
Journal Article
13, 419 (2022)
Artificial-intelligence-driven discovery of catalyst genes with application to CO2 activation on semiconductor oxides. Nature Communications 16.
Journal Article
46 (11), pp. 1016 - 1026 (2021)
Materials genes of heterogeneous catalysis from clean experiments and artificial intelligence. MRS Bulletin 17.
Journal Article
12 (1), 6234 (2021)
Robust recognition and exploratory analysis of crystal structures via Bayesian deep learning. Nature Communications 18.
Journal Article
3 (1), pp. 1 - 12 (2021)
Trends in Atomistic Simulation Software Usage [Articlev1.0]. Living Journal of Computational Molecular Science 19.
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 20.
Journal Article
154 (24), 244114 (2021)
Data-driven equation for drug-membrane permeability across drugs and membranes. The Journal of Chemical Physics