Luca M. Ghiringhelli
Luca M. Ghiringhelli
Professor for Data-based Materials Modeling @ FAU, dept. of Materials Science and Engineering
E-mailová adresa ověřena na: - Domovská stránka
New tolerance factor to predict the stability of perovskite oxides and halides
CJ Bartel, C Sutton, BR Goldsmith, R Ouyang, CB Musgrave, ...
Science advances 5 (2), eaav0693, 2019
Big data of materials science: critical role of the descriptor
LM Ghiringhelli, J Vybiral, SV Levchenko, C Draxl, M Scheffler
Physical review letters 114 (10), 105503, 2015
SISSO: a compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates
R Ouyang, S Curtarolo, E Ahmetcik, M Scheffler, LM Ghiringhelli
Physical Review Materials 2 (8), 083802, 2018
Report on the sixth blind test of organic crystal structure prediction methods
AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ...
Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016
Insightful classification of crystal structures using deep learning
A Ziletti, D Kumar, M Scheffler, LM Ghiringhelli
Nature communications 9 (1), 2775, 2018
Improved long-range reactive bond-order potential for carbon. I. Construction
JH Los, LM Ghiringhelli, EJ Meijer, A Fasolino
Physical Review B 72 (21), 214102, 2005
Modeling the phase diagram of carbon
LM Ghiringhelli, JH Los, EJ Meijer, A Fasolino, D Frenkel
Physical review letters 94 (14), 145701, 2005
Learning physical descriptors for materials science by compressed sensing
LM Ghiringhelli, J Vybiral, E Ahmetcik, R Ouyang, SV Levchenko, C Draxl, ...
New Journal of Physics 19 (2), 023017, 2017
Simultaneous learning of several materials properties from incomplete databases with multi-task SISSO
R Ouyang, E Ahmetcik, C Carbogno, M Scheffler, LM Ghiringhelli
Journal of Physics: Materials 2 (2), 024002, 2019
GAtor: a first-principles genetic algorithm for molecular crystal structure prediction
F Curtis, X Li, T Rose, A Vazquez-Mayagoitia, S Bhattacharya, ...
Journal of chemical theory and computation 14 (4), 2246-2264, 2018
Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats
LM Ghiringhelli, C Carbogno, S Levchenko, F Mohamed, G Huhs, ...
npj computational materials 3 (1), 46, 2017
Identifying domains of applicability of machine learning models for materials science
C Sutton, M Boley, LM Ghiringhelli, M Rupp, J Vreeken, M Scheffler
Nature communications 11 (1), 4428, 2020
Roadmap on machine learning in electronic structure
HJ Kulik, T Hammerschmidt, J Schmidt, S Botti, MAL Marques, M Boley, ...
Electronic Structure 4 (2), 023004, 2022
Uncovering structure-property relationships of materials by subgroup discovery
BR Goldsmith, M Boley, J Vreeken, M Scheffler, LM Ghiringhelli
New Journal of Physics 19 (1), 013031, 2017
Theory and hierarchical calculations of the structure and energetics of [0001] tilt grain boundaries in graphene
JM Carlsson, LM Ghiringhelli, A Fasolino
Physical Review B 84 (16), 165423, 2011
Surface-induced crystallization in supercooled tetrahedral liquids
T Li, D Donadio, LM Ghiringhelli, G Galli
Nature materials 8 (9), 726-730, 2009
Stability and metastability of clusters in a reactive atmosphere: theoretical evidence for unexpected stoichiometries of MgMOx
S Bhattacharya, SV Levchenko, LM Ghiringhelli, M Scheffler
arXiv preprint arXiv:1304.4803, 2013
Competing adsorption between hydrated peptides and water onto metal surfaces: From electronic to conformational properties
LM Ghiringhelli, B Hess, NFA van der Vegt, L Delle Site
Journal of the American Chemical Society 130 (40), 13460-13464, 2008
Artificial-intelligence-driven discovery of catalyst genes with application to CO2 activation on semiconductor oxides
A Mazheika, YG Wang, R Valero, F Viñes, F Illas, LM Ghiringhelli, ...
Nature Communications 13 (1), 419, 2022
State-of-the-art models for the phase diagram of carbon and diamond nucleation
LM Ghiringhelli, C Valeriani, JH Los, EJ Meijer, A Fasolino, D Frenkel
Molecular Physics 106 (16-18), 2011-2038, 2008
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Články 1–20