Publications of Luca M. Ghiringhelli
All genres
Talk (124)
2013
Talk
Ghiringhelli, Luca M.: Free metal and metal-oxide clusters: beyond the static, monostructure description.
(IPAM program on Materials for a Sustainable Energy Future, Los Angeles, USA, Oct 2013).
2012
Talk
Ghiringhelli, Luca M.: Towards catalysis by gold clusters: reaction cycles and poisons.
(Colloquium at Oak Ridge National Laboratory (ORNL), Tennessee, USA, Mar 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 (6)
2023
Working Paper
, Luca M. Ghiringhelli, Christian Carbogno, and Matthias Scheffler: On the Uncertainty Estimates of Equivariant-Neural-Network-Ensembles Interatomic Potentials.
Working Paper
Speckhard, Daniel, Christian Carbogno, Luca M. Ghiringhelli, , Matthias Scheffler and : Extrapolation to complete basis-set limit in density-functional theory by quantile random-forest models.
2021
Working Paper
Ghiringhelli, Luca M.: Interpretability of machine-learning models in physical sciences.
2019
Working Paper
Mazheika, Aliaksei, Yanggang Wang, , Luca M. Ghiringhelli, , , Sergey V. Levchenko and Matthias Scheffler: Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces.
2018
Working Paper
, Runhai Ouyang, , 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, , , and Matthias Scheffler: Towards a Common Format for Computational Materials Science Data.
Editorial (2)
2023
Editorial
Ghiringhelli, Luca M., Carsten Baldauf, , , Christian Carbogno, , , , Claudia Draxl, , , , , , , , Maja-Olivia Lenz Himmer, , , , , , , , Benjamin Regler, , , , , , , , , 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.