Insightful classification of crystal structures using deep learning von Ziletti, Angelo, Kumar, Devinder, Scheffler, Matthias, Ghiringhelli, Luca M.

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Big data of materials science: critical role of the descriptor von Ghiringhelli, Luca M, Vybiral, Jan, Levchenko, Sergey V, Draxl, Claudia, Scheffler, Matthias

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Identifying domains of applicability of machine learning models for materials science von Sutton, Christopher, Boley, Mario, Ghiringhelli, Luca M., Rupp, Matthias, Vreeken, Jilles, Scheffler, Matthias

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New tolerance factor to predict the stability of perovskite oxides and halides von Bartel, Christopher J, Sutton, Christopher, Goldsmith, Bryan R, Ouyang, Runhai, Musgrave, Charles B, Ghiringhelli, Luca M, Scheffler, Matthias

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Robust recognition and exploratory analysis of crystal structures via Bayesian deep learning von Leitherer, Andreas, Ziletti, Angelo, Ghiringhelli, Luca M.

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Artificial-intelligence-driven discovery of catalyst genes with application to CO2 activation on semiconductor oxides von Mazheika, Aliaksei, Wang, Yang-Gang, Valero, Rosendo, Viñes, Francesc, Illas, Francesc, Ghiringhelli, Luca M., Levchenko, Sergey V., Scheffler, Matthias

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Learning physical descriptors for materials science by compressed sensing von Ghiringhelli, Luca M, Vybiral, Jan, Ahmetcik, Emre, Ouyang, Runhai, Levchenko, Sergey V, Draxl, Claudia, Scheffler, Matthias

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Identifying Outstanding Transition-Metal-Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery von Foppa, Lucas, Ghiringhelli, Luca M.

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Uncovering structure-property relationships of materials by subgroup discovery von Goldsmith, Bryan R, Boley, Mario, Vreeken, Jilles, Scheffler, Matthias, Ghiringhelli, Luca M

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Simultaneous learning of several materials properties from incomplete databases with multi-task SISSO von Ouyang, Runhai, Ahmetcik, Emre, Carbogno, Christian, Scheffler, Matthias, Ghiringhelli, Luca M

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GAtor: A First-Principles Genetic Algorithm for Molecular Crystal Structure Prediction von Curtis, Farren, Li, Xiayue, Rose, Timothy, Vázquez-Mayagoitia, Álvaro, Bhattacharya, Saswata, Ghiringhelli, Luca M, Marom, Noa

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TCMI: a non-parametric mutual-dependence estimator for multivariate continuous distributions von Regler, Benjamin, Scheffler, Matthias, Ghiringhelli, Luca M.

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Data-driven equation for drug–membrane permeability across drugs and membranes von Dutta, Arghya, Vreeken, Jilles, Ghiringhelli, Luca M., Bereau, Tristan

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A review of particle damping modeling and testing von Gagnon, Louis, Morandini, Marco, Ghiringhelli, Gian Luca

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Correction to: Identifying Outstanding Transition-Metal-Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery von Foppa, Lucas, Ghiringhelli, Luca M.

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How big is big data? von Speckhard, Daniel, Bechtel, Tim, Ghiringhelli, Luca M, Kuban, Martin, Rigamonti, Santiago, Draxl, Claudia

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Ab Initio Approach for Thermodynamic Surface Phases with Full Consideration of Anharmonic Effects: The Example of Hydrogen at Si(100) von Zhou, Yuanyuan, Zhu, Chunye, Scheffler, Matthias, Ghiringhelli, Luca M.

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Stability and metastability of clusters in a reactive atmosphere: theoretical evidence for unexpected stoichiometries of MgMOx von Bhattacharya, Saswata, Levchenko, Sergey V, Ghiringhelli, Luca M, Scheffler, Matthias

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Identifying consistent statements about numerical data with dispersion-corrected subgroup discovery von Boley, Mario, Goldsmith, Bryan R., Ghiringhelli, Luca M., Vreeken, Jilles

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Towards Experimental Handbooks in Catalysis von Trunschke, Annette, Bellini, Giulia, Boniface, Maxime, Carey, Spencer J., Dong, Jinhu, Erdem, Ezgi, Foppa, Lucas, Frandsen, Wiebke, Geske, Michael, Ghiringhelli, Luca M., Girgsdies, Frank, Hanna, Rania, Hashagen, Maike, Hävecker, Michael, Huff, Gregory, Knop-Gericke, Axel, Koch, Gregor, Kraus, Peter, Kröhnert, Jutta, Kube, Pierre, Lohr, Stephen, Lunkenbein, Thomas, Masliuk, Liudmyla, Naumann d’Alnoncourt, Raoul, Omojola, Toyin, Pratsch, Christoph, Richter, Sven, Rohner, Christian, Rosowski, Frank, Rüther, Frederik, Scheffler, Matthias, Schlögl, Robert, Tarasov, Andrey, Teschner, Detre, Timpe, Olaf, Trunschke, Philipp, Wang, Yuanqing, Wrabetz, Sabine

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