Publications by authors named "Luca Ghiringhelli"

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

Faraday Discuss· January 2025

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Discovering dynamic laws from observations: The case of self-propelled, interacting colloids.
Miguel Ruiz-Garcia, C Miguel Barriuso G, Lachlan C Alexander, Dirk G A L Aarts, Luca M Ghiringhelli

Phys Rev E· June 2024

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Shared metadata for data-centric materials science.
Luca M Ghiringhelli, Carsten Baldauf, Tristan Bereau, Sandor Brockhauser, Christian Carbogno

Sci Data· September 2023

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Recent advances in the SISSO method and their implementation in the SISSO++ code.
Thomas A R Purcell, Matthias Scheffler, Luca M Ghiringhelli

J Chem Phys· September 2023

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

Phys Rev Lett· June 2022

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Learning Design Rules for Selective Oxidation Catalysts from High-Throughput Experimentation and Artificial Intelligence.
Lucas Foppa, Christopher Sutton, Luca M Ghiringhelli, Sandip De, Patricia Löser

ACS Catal· February 2022

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Artificial-intelligence-driven discovery of catalyst genes with application to CO activation on semiconductor oxides.
Aliaksei Mazheika, Yang-Gang Wang, Rosendo Valero, Francesc Viñes, Francesc Illas, Luca M Ghiringhelli

Nat Commun· January 2022

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Materials genes of heterogeneous catalysis from clean experiments and artificial intelligence.
Lucas Foppa, Luca M Ghiringhelli, Frank Girgsdies, Maike Hashagen, Pierre Kube

MRS Bull· October 2021

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

Nat Commun· October 2021

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

Top Catal· September 2021

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Publisher's Note: "Data-driven equation for drug-membrane permeability across drugs and membranes" [J. Chem. Phys. 154, 244114 (2021)].
Arghya Dutta, Jilles Vreeken, Luca M Ghiringhelli, Tristan Bereau

J Chem Phys· July 2021

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

J Chem Phys· June 2021

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

Nat Commun· September 2020

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Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications.
Florian Belviso, Victor E P Claerbout, Aleix Comas-Vives, Naresh S Dalal, Feng-Ren Fan, Luca M Ghiringhelli

Inorg Chem· November 2019

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

J Phys Chem Lett· February 2019

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

Sci Adv· February 2019

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

Nat Commun· July 2018

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

J Chem Theory Comput· April 2018

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Erratum: "Intense fluorescence of Au" [J. Chem. Phys. 147, 074301 (2017)].
Chongqi Yu, Wolfgang Harbich, Luca Sementa, Luca Ghiringhelli, Edoardo Aprá

J Chem Phys· September 2017

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Intense fluorescence of Au.
Chongqi Yu, Wolfgang Harbich, Luca Sementa, Luca Ghiringhelli, Edoardo Aprá

J Chem Phys· August 2017

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Report on the sixth blind test of organic crystal structure prediction methods.
Anthony M Reilly, Richard I Cooper, Claire S Adjiman, Saswata Bhattacharya, A Daniel Boese, Luca M Ghiringhelli

Acta Crystallogr B Struct Sci Cryst Eng Mater· August 2016

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Formation of Water Chains on CaO(001): What Drives the 1D Growth?
Xunhua Zhao, Xiang Shao, Yuichi Fujimori, Saswata Bhattacharya, Luca M Ghiringhelli

J Phys Chem Lett· April 2015

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

Phys Rev Lett· March 2015

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

Phys Rev Lett· September 2013

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Autocatalytic and cooperatively stabilized dissociation of water on a stepped platinum surface.
Davide Donadio, Luca M Ghiringhelli, Luigi Delle Site

J Am Chem Soc· November 2012

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