Publications of Luca M. Ghiringhelli

Ghiringhelli, L. M.: (Computational) Statistical Mechanics from First Principles. Block Course on Aspects of Physics and Chemistry of Surfaces, International Max Planck Research School Complex Surfaces in Materials Sciences, Berlin, Germany (2013)

Ghiringhelli, L. M.: Ab initio atomistic thermodynamics and statistical mechanics of materials' properties and functions. International Workshop on Computational Materials Design, Jodhpur, India (2013)

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. L.; 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)