Luca M. Ghiringhelli
Luca M. Ghiringhelli
確認したメール アドレス: fhi-berlin.mpg.de - ホームページ
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引用先
引用先
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
4932015
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
3302016
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
2392005
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
1952019
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
1332018
Modeling the phase diagram of carbon
LM Ghiringhelli, JH Los, EJ Meijer, A Fasolino, D Frenkel
Physical review letters 94 (14), 145701, 2005
1332005
Insightful classification of crystal structures using deep learning
A Ziletti, D Kumar, M Scheffler, LM Ghiringhelli
Nature communications 9 (1), 1-10, 2018
1272018
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
912011
Surface-induced crystallization in supercooled tetrahedral liquids
T Li, D Donadio, LM Ghiringhelli, G Galli
Nature materials 8 (9), 726-730, 2009
882009
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
782017
Stability and Metastability of Clusters in a Reactive Atmosphere: Theoretical Evidence for Unexpected Stoichiometries of
S Bhattacharya, SV Levchenko, LM Ghiringhelli, M Scheffler
Physical review letters 111 (13), 135501, 2013
752013
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
742008
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
672008
Interaction of hydrated amino acids with metal surfaces: A multiscale modeling description
P Schravendijk, LM Ghiringhelli, LD Site, NFA van der Vegt
The Journal of Physical Chemistry C 111 (6), 2631-2642, 2007
602007
Local structure of liquid carbon controls diamond nucleation
LM Ghiringhelli, C Valeriani, EJ Meijer, D Frenkel
Physical review letters 99 (5), 055702, 2007
582007
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), 1-9, 2017
57*2017
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
542017
Not so loosely bound rare gas atoms: finite-temperature vibrational fingerprints of neutral gold-cluster complexes
LM Ghiringhelli, P Gruene, JT Lyon, DM Rayner, G Meijer, A Fielicke, ...
New Journal of Physics 15 (8), 083003, 2013
512013
Improved long-range reactive bond-order potential for carbon. II. Molecular simulation of liquid carbon
LM Ghiringhelli, JH Los, A Fasolino, EJ Meijer
Physical Review B 72 (21), 214103, 2005
502005
Phenylalanine near inorganic surfaces: conformational statistics vs specific chemistry
LM Ghiringhelli, L Delle Site
Journal of the American Chemical Society 130 (8), 2634-2638, 2008
482008
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