Publications of Luca M. Ghiringhelli

2020

Journal Article

Cao, Guohua, Runhai Ouyang, Luca M. Ghiringhelli, Matthias Scheffler, Huijun Liu, Christian Carbogno and Zhenyu Zhang: Artificial intelligence for high-throughput discovery of topological insulators: The example of alloyed tetradymites.

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Journal Article

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

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Journal Article

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

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Journal Article

Wouters, C., Christopher A. Sutton, Luca M. Ghiringhelli, T. Markut, R. Schewski, A. Hassa, H. Von Wenckstern, M. Grundmann, Matthias Scheffler and M. Albrecht: Investigating the ranges of (meta)stable phase formation in (In_xGa_1−x)₂O₃: Impact of the cation coordination.

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2019

Journal Article

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

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Journal Article

Belviso, Florian, Victor E.P. Claerbout, Aleix Comas-Vives, Naresh S. Dalal, Feng-Ren Fan, Alessio Filippetti, Vincenzo Fiorentini, Lucas Foppa, Cesare Franchini, Benjamin Geisler, Luca M. Ghiringhelli, Axel Groß, Shunbo Hu, Jorge Íñiguez, Steven Kaai Kauwe, Janice L. Musfeldt, Paolo Nicolini, Rossitza Pentcheva, Tomas Polcar, Wei Ren, Fabio Ricci, Francesco Ricci, Huseyin Sener Sen, Jonathan Michael Skelton, Taylor D. Sparks, Alessandro Stroppa, Andrea Urru, Matthias Vandichel, Paolo Vavassori, Hua Wu, Ke Yang, Hong Jian Zhao, Danilo Puggioni, Remedios Cortese and Antonio Cammarata: Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications.

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Journal Article

Goldsmith, Bryan, Jacob Florian, Jin-Xun Liu, Philipp Grüne, Jonathan T. Lyon, David M. Rayner, André Fielicke, Matthias Scheffler and Luca M. Ghiringhelli: Two-to-three dimensional transition in neutral gold clusters: The crucial role of van der Waals interactions and temperature.

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Journal Article

Guedes-Sobrinho, Diego, Weiqi Wang, Ian P. Hamilton, Juarez L.F. Da Silva and Luca M. Ghiringhelli: (Meta-)stability and Core–Shell Dynamics of Gold Nanoclusters at Finite Temperature.

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Journal Article

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

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Journal Article

Sutton, Christopher A., Luca M. Ghiringhelli, Takenori Yamamoto, Yury Lysogorskiy, Lars Blumenthal, Thomas Hammerschmidt, Jacek R. Golebiowski, Xiangyue Liu, Angelo Ziletti and Matthias Scheffler: Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition.

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Journal Article

Zhang, Igor Ying, Andrew J. Logsdail, Xinguo Ren, Sergey V. Levchenko, Luca M. Ghiringhelli and Matthias Scheffler: 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.

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Journal Article

Zhou, Yuanyuan, Matthias Scheffler and Luca M. Ghiringhelli: Determining surface phase diagrams including anharmonic effects.

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2018

Journal Article

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

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Journal Article

Ouyang, Runhai, Stefano Curtarolo, Emre Ahmetcik, Matthias Scheffler and Luca M. Ghiringhelli: SISSO: a compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates.

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Journal Article

Saini, Shikha, Debalaya Sarker, Pooja Basera, Sergey V. Levchenko, Luca M. Ghiringhelli and Saswata Bhattacharya: Structure and Electronic Properties of Transition-Metal/Mg Bimetallic Clusters at Realistic Temperatures and Oxygen Partial Pressures.

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Journal Article

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

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2017

Journal Article

Bhattacharya, Saswata, Daniel Berger, Karsten Reuter, Luca M. Ghiringhelli and Sergey V. Levchenko: Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces.

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Journal Article

Boley, Mario, Bryan Goldsmith, Luca M. Ghiringhelli and Jilles Vreeken: Identifying Consistent Statements about Numerical Data with Dispersion-Corrected Subgroup Discovery.

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Journal Article

Ghiringhelli, Luca M., Christian Carbogno, Sergey V. Levchenko, Fawzi Roberto Mohamed, Georg Huhs, Martin Lüders, Micael Oliveira and Matthias Scheffler: Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats.

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