Publications of Luca M. Ghiringhelli

Talk (124)

Thesis - Master (1)

2016
Thesis - Master
E. Ahmetcik: Machine Learning of the Stability of Octet Binaries. Technische Universität Berlin

Working Paper (7)

2023
Working Paper
S. Lu, L.M. Ghiringhelli, C. Carbogno, J. Wang and M. Scheffler: On the Uncertainty Estimates of Equivariant-Neural-Network-Ensembles Interatomic Potentials., in press.
Working Paper
D. Speckhard, C. Carbogno, L.M. Ghiringhelli, S. Lubeck, M. Scheffler and C. Draxl: Extrapolation to complete basis-set limit in density-functional theory by quantile random-forest models., in press.
2022
Working Paper
T. Purcell, M. Scheffler, L.M. Ghiringhelli and C. Carbogno: Accelerating Materials-Space Exploration by Mapping Materials Properties via Artificial Intelligence: The Case of the Lattice Thermal Conductivity., in press.
2021
Working Paper
L.M. Ghiringhelli: Interpretability of machine-learning models in physical sciences., in press.
2019
Working Paper
A. Mazheika, Y. Wang, R. Valero, L.M. Ghiringhelli, F. Vines, F. Illas, S.V. Levchenko and M. Scheffler: Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces., in press.
2018
Working Paper
C.M. Acosta, R. Ouyang, A. Fazzio, M. Scheffler, L.M. Ghiringhelli and C. Carbogno: Analysis of Topological Transitions in Two-dimensional Materials by Compressed Sensing., in press.
2016
Working Paper
L.M. Ghiringhelli, C. Carbogno, S.V. Levchenko, F.R. Mohamed, G. Huhs, M. Lüders, M. Oliveira and M. Scheffler: Towards a Common Format for Computational Materials Science Data. (131), 1–16 (2016).

Editorial (2)

2023
Editorial
L.M. Ghiringhelli, C. Baldauf, T. Bereau, S. Brockhauser, C. Carbogno, J. Chamanara, S. Cozzini, S. Curtarolo, C. Draxl, S. Dwaraknath, Á. Fekete, J. Kermode, C.T. Koch, M. Kühbach, A.N. Ladines, P. Lambrix, M.-O. Himmer, S.V. Levchenko, M. Oliveira, A. Michalchuk, R. Miller, B. Onat, P. Pavone, G. Pizzi, B. Regler, G.-M. Rignanese, J. Schaarschmidt, M. Scheidgen, A. Schneidewind, T. Sheveleva, C. Su, D. Usvyat, O. Valsson, C. Wöll and M. Scheffler: Shared Metadata for Data-Centric Materials Science. Scientific Data 10, 626 (2023).
2021
Editorial
L.M. Ghiringhelli: An AI-toolkit to develop and share research into new material. Nature Reviews Physics 3, 724 (2021).

Preprint (1)

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