Publications of Luca M. Ghiringhelli

Talk (124)

2012
Talk
Ghiringhelli, Luca M.: Free-energy calculation for molecules and condensed phases.
(jDPG Theoretikerworkshop (Theorist’s workshop of the Young German Physical Society), Burg Breuberg, Germany, Jan 2012).
Talk
Ghiringhelli, Luca M.: Ab initio free energy: interface PLUMED / FHI-aims and application to fluxional metal clusters and beyond.
(First PLUMED meeting, Trieste, Italy, Jun 2012).
Talk
Ghiringhelli, Luca M.: (Meta)stability and dynamics of metal clusters in realistic atmosphere from first principles.
(International Workshop on Frontiers in Computational Material Science, Ringberg Castle, Germany, Jul 2012).
Talk
Ghiringhelli, Luca M.: Levy–Lieb constrained-search and classical Monte Carlo sampling: electron correlations and Shannon entropy.
(Research Workshop and Graduate School on Complexity from quantum systems to emergent behaviour, Debrecen, Hungary, Dec 2012).
2011
Talk
Ghiringhelli, Luca M.: Towards catalysis by gold clusters: allowed reaction cycles and poisons.
(Workshop on the Physics and Chemistry of Energy Conversion at Interfaces, Dalian, China, Dec 2011).
Talk
Ghiringhelli, Luca M.: Towards catalysis by gold clusters: allowed reaction cycles and poisons.
(Sustainable Energy Workshop, Taipei, Taiwan, Dec 2011).

Thesis - Master (1)

2016
Thesis - Master
Ahmetcik, Emre: Machine Learning of the Stability of Octet Binaries.

Working Paper (7)

2023
Working Paper
Lu, Shuaihua, Luca M. Ghiringhelli, Christian Carbogno, Jinlan Wang and Matthias Scheffler: On the Uncertainty Estimates of Equivariant-Neural-Network-Ensembles Interatomic Potentials.
Working Paper
Speckhard, Daniel, Christian Carbogno, Luca M. Ghiringhelli, Sven Lubeck, Matthias Scheffler and Claudia Draxl: Extrapolation to complete basis-set limit in density-functional theory by quantile random-forest models.
2022
Working Paper
Purcell, Thomas, Matthias Scheffler, Luca M. Ghiringhelli and Christian Carbogno: Accelerating Materials-Space Exploration by Mapping Materials Properties via Artificial Intelligence: The Case of the Lattice Thermal Conductivity.
2021
Working Paper
Ghiringhelli, Luca M.: Interpretability of machine-learning models in physical sciences.
2019
Working Paper
Mazheika, Aliaksei, Yanggang Wang, Rosendo Valero, Luca M. Ghiringhelli, Francesc Vines, Francesc Illas, Sergey V. Levchenko and Matthias Scheffler: Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces.
2018
Working Paper
Acosta, Carlos Mera, Runhai Ouyang, Adalberto Fazzio, Matthias Scheffler, Luca M. Ghiringhelli and Christian Carbogno: Analysis of Topological Transitions in Two-dimensional Materials by Compressed Sensing.
2016
Working Paper
Ghiringhelli, Luca M., Christian Carbogno, Sergey V. Levchenko, Fawzi Roberto Mohamed, Georg Huhs, Martin Lüders, Micael Oliveira and Matthias Scheffler: Towards a Common Format for Computational Materials Science Data.

Editorial (2)

2023
Editorial
Ghiringhelli, Luca M., Carsten Baldauf, Tristan Bereau, Sandor Brockhauser, Christian Carbogno, Javad Chamanara, Stefano Cozzini, Stefano Curtarolo, Claudia Draxl, Shyam Dwaraknath, Ádám Fekete, James Kermode, Christoph T. Koch, Markus Kühbach, Alvin Noe Ladines, Patrick Lambrix, Maja-Olivia Himmer, Sergey V. Levchenko, Micael Oliveira, Adam Michalchuk, Ron Miller, Berk Onat, Pasquale Pavone, Giovanni Pizzi, Benjamin Regler, Gian-Marco Rignanese, Jörg Schaarschmidt, Markus Scheidgen, Astrid Schneidewind, Tatyana Sheveleva, Chuanxun Su, Denis Usvyat, Omar Valsson, Christof Wöll and Matthias Scheffler: Shared Metadata for Data-Centric Materials Science.
2021
Editorial
Ghiringhelli, Luca M.: An AI-toolkit to develop and share research into new material.

Preprint (1)

2024
Preprint
Bauer, Stefan, Peter Benner, Tristan Bereau, Volker Blum, Mario Boley, Christian Carbogno, C.Richard A. Catlow, Gerhard Dehm, Sebastian Eibl, Ralph Ernstorfer, Adam Fekete, Lucas Foppa, Peter Fratzl, Christoph Freysoldt, Baptiste Gault, Luca M. Ghiringhelli, Sajal K. Giri, Anton Gladyshev, Pawan Goyal, Jason Hattrick-Simpers, Lara Kabalan, Petr Karpov, Mohammad S. Khorrami, Christoph Koch, Sebastian Kokott, Thomas Kosch, Igor Kowalec, Kurt Kremer, Andreas Leitherer, Yue Li, Christian H. Liebscher, Andrew J. Logsdail, Zhongwei Lu, Felix Luong, Andreas Marek, Florian Merz, Jaber R. Mianroodi, Jorg Neugebauer, Thomas A.R. Purcell, Dierk Raabe, Markus Rampp, Mariana Rossi, Jan-Michael Rost, Ulf Saalmann, Alaukik Saxena, Luigi Sbailo, Matthias Scheffler, Markus Scheidgen, Marcel Schloz, Daniel F. Schmidt, Simon Teshuva, Annette Trunschke, Ye Wei, Gerhard Weikum, R.Patrick Xian, Yi Yao and Meng Zhao: Roadmap on Data-Centric Materials Science.
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