Publications of Luca M. Ghiringhelli

Ghiringhelli, L. 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 (2012)

Ghiringhelli, L. 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 (2012)

Ghiringhelli, L. M.: Ab initio free energy: interface PLUMED / FHI-aims and application to fluxional metal clusters and beyond. First PLUMED meeting, Trieste, Italy (2012)

Ghiringhelli, L. M.: Towards catalysis by gold clusters: reaction cycles and poisons. Colloquium at Oak Ridge National Laboratory (ORNL), Tennessee, USA (2012)

Ghiringhelli, L. M.: Free-energy calculation for molecules and condensed phases. jDPG Theoretikerworkshop (Theorist’s workshop of the Young German Physical Society), Burg Breuberg, Germany (2012)

Ghiringhelli, L. M.: Towards catalysis by gold clusters: allowed reaction cycles and poisons. Sustainable Energy Workshop, Taipei, Taiwan (2011)

Ghiringhelli, L. M.: Towards catalysis by gold clusters: allowed reaction cycles and poisons. Workshop on the Physics and Chemistry of Energy Conversion at Interfaces, Dalian, China (2011)

Ahmetcik, E.: Machine Learning of the Stability of Octet Binaries. Master, Technische Universität, Berlin (2016)

Lu, S.; Ghiringhelli, L. M.; Carbogno, C.; Wang, J.; Scheffler, M.: On the Uncertainty Estimates of Equivariant-Neural-Network-Ensembles Interatomic Potentials. (2023)

Speckhard, D.; Carbogno, C.; Ghiringhelli, L. M.; Lubeck, S.; Scheffler, M.; Draxl, C.: Extrapolation to complete basis-set limit in density-functional theory by quantile random-forest models. (2023)

Ghiringhelli, L. M.: Interpretability of machine-learning models in physical sciences. (2021)

Mazheika, A.; Wang, Y.; Valero, R.; Ghiringhelli, L. M.; Vines, F.; Illas, F.; Levchenko, S. V.; Scheffler, M.: Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces. (2019)

Acosta, C. M.; Ouyang, R.; Fazzio, A.; Scheffler, M.; Ghiringhelli, L. M.; Carbogno, C.: Analysis of Topological Transitions in Two-dimensional Materials by Compressed Sensing. (2018)

Ghiringhelli, L. M.; Carbogno, C.; Levchenko, S. V.; Mohamed, F. R.; Huhs, G.; Lüders, M.; Oliveira, M.; Scheffler, M.: Towards a Common Format for Computational Materials Science Data. Psi-k Scientific Highlight Of The Month (131) pp. 1 - 16 (2016), 16 pp.

Ghiringhelli, L. M.; Baldauf, C.; Bereau, T.; Brockhauser, S.; Carbogno, C.; Chamanara, J.; Cozzini, S.; Curtarolo, S.; Draxl, C.; Dwaraknath, S. et al.; Fekete, Á.; Kermode, J.; Koch, C. T.; Kühbach, M.; Ladines, A. N.; Lambrix, P.; Himmer, M.-O.; Levchenko, S. V.; Oliveira, M.; Michalchuk, A.; Miller, R.; Onat, B.; Pavone, P.; Pizzi, G.; Regler, B.; Rignanese, G.-M.; Schaarschmidt, J.; Scheidgen, M.; Schneidewind, A.; Sheveleva, T.; Su, C.; Usvyat, D.; Valsson, O.; Wöll, C.; Scheffler, M.: Shared Metadata for Data-Centric Materials Science. Scientific Data 10, 626 (2023)

Ghiringhelli, L. M.: An AI-toolkit to develop and share research into new material. Nature Reviews Physics 3, 724 (2021)

Bauer, S.; Benner, P.; Bereau, T.; Blum, V.; Boley, M.; Carbogno, C.; Catlow, C. R. A.; Dehm, G.; Eibl, S.; Ernstorfer, R. et al.; Fekete, A.; Foppa, L.; Fratzl, P.; Freysoldt, C.; Gault, B.; Ghiringhelli, L. M.; Giri, S. K.; Gladyshev, A.; Goyal, P.; Hattrick-Simpers, J.; Kabalan, L.; Karpov, P.; Khorrami, M. S.; Koch, C.; Kokott, S.; Kosch, T.; Kowalec, I.; Kremer, K.; Leitherer, A.; Li, Y.; Liebscher, C. H.; Logsdail, A. J.; Lu, Z.; Luong, F.; Marek, A.; Merz, F.; Mianroodi, J. R.; Neugebauer, J.; Purcell, T. A. R.; Raabe, D.; Rampp, M.; Rossi, M.; Rost, J.-M.; Saalmann, U.; Saxena, A.; Sbailo, L.; Scheffler, M.; Scheidgen, M.; Schloz, M.; Schmidt, D. F.; Teshuva, S.; Trunschke, A.; Wei, Y.; Weikum, G.; Xian, R. P.; Yao, Y.; Zhao, M.: Roadmap on Data-Centric Materials Science. (2024)