Publications of Luca M. Ghiringhelli

Journal Article (56)

2022
Journal Article
Carbogno, Christian, … Matthias Scheffler: Numerical quality control for DFT-based materials databases.
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Foppa, Lucas et al.: Identifying Outstanding Transition‑Metal‑Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery.
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Foppa, Lucas, … Luca M. Ghiringhelli: Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskites.
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Foppa, Lucas, … Matthias Scheffler: Learning Design Rules for Selective Oxidation Catalysts from High-Throughput Experimentation and Artificial Intelligence.
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Kulik, H.J., … Luca M. Ghiringhelli: Roadmap on Machine learning in electronic structure.
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Liu, Xingyu, … Noa Marom: Finding predictive models for singlet fission by machine learning.
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Mazheika, Aliaksei, … Matthias Scheffler: Artificial-intelligence-driven discovery of catalyst genes with application to CO2 activation on semiconductor oxides.
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Purcell, Thomas, … Luca M. Ghiringhelli: SISSO++: A C++ Implementation of the Sure-Independence Screening and Sparisifying Operator Approach.
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Regler, Benjamin, … Luca M. Ghiringhelli: TCMI: a non-parametric mutual-dependence estimator for multivariate continuous distributions.
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Zhou, Yuanyuan, … Luca M. Ghiringhelli: Ab Initio Approach for Thermodynamic Surface Phases with Full Consideration of Anharmonic Effects: The Example of Hydrogen at Si(100).
2021
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Dutta, Arghya, … Tristan Bereau: Data-driven equation for drug-membrane permeability across drugs and membranes.
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Dutta, Arghya, … Tristan Bereau: Publisher's Note: "Data-driven equation for drug-membrane permeability across drugs and membranes" [J. J. chem. Phys. 154, 244114 (2021)].
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Foppa, Lucas, … Matthias Scheffler: Materials genes of heterogeneous catalysis from clean experiments and artificial intelligence.
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Leitherer, Andreas, … Luca M. Ghiringhelli: Robust recognition and exploratory analysis of crystal structures via Bayesian deep learning.
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Talirz, Leopold, … Berend Smit: Trends in Atomistic Simulation Software Usage [Articlev1.0].
2020
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Cao, Guohua, … Zhenyu Zhang: Artificial intelligence for high-throughput discovery of topological insulators: The example of alloyed tetradymites.
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Sutton, Christopher A., … Matthias Scheffler: Identifying domains of applicability of machine learning models for materials science.
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Trunschke, Annette, … Sabine Wrabetz: Towards Experimental Handbooks in Catalysis.
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Wouters, C., … M. Albrecht: Investigating the ranges of (meta)stable phase formation in (InxGa1−x)2O3: Impact of the cation coordination.
2019
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Bartel, Christopher J., … Matthias Scheffler: New tolerance factor to predict the stability of perovskite oxides and halides.
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