Crystal nucleation in liquids: Open questions and future challenges in molecular dynamics simulations GC Sosso, J Chen, SJ Cox, M Fitzner, P Pedevilla, A Zen, A Michaelides
Chemical reviews 116 (12), 7078-7116, 2016
917 2016 Promoting transparency and reproducibility in enhanced molecular simulations M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ...
Nature methods 16 (8), 670-673, 2019
813 2019 Neural network interatomic potential for the phase change material GeTe GC Sosso, G Miceli, S Caravati, J Behler, M Bernasconi
Physical Review B—Condensed Matter and Materials Physics 85 (17), 174103, 2012
283 2012 The many faces of heterogeneous ice nucleation: Interplay between surface morphology and hydrophobicity M Fitzner, GC Sosso, SJ Cox, A Michaelides
Journal of the American Chemical Society 137 (42), 13658-13669, 2015
249 2015 Vibrational properties of crystalline Sb2Te3 from first principles GC Sosso, S Caravati, M Bernasconi
Journal of Physics: Condensed Matter 21 (9), 095410, 2009
212 2009 Fast crystallization of the phase change compound GeTe by large-scale molecular dynamics simulations GC Sosso, G Miceli, S Caravati, F Giberti, J Behler, M Bernasconi
The journal of physical chemistry letters 4 (24), 4241-4246, 2013
175 2013 Raman spectra of cubic and amorphous Ge GC Sosso, S Caravati, R Mazzarello, M Bernasconi
Physical Review B—Condensed Matter and Materials Physics 83 (13), 134201, 2011
135 2011 Ice is born in low-mobility regions of supercooled liquid water M Fitzner, GC Sosso, SJ Cox, A Michaelides
Proceedings of the National Academy of Sciences 116 (6), 2009-2014, 2019
121 2019 Microscopic origin of resistance drift in the amorphous state of the phase-change compound GeTe S Gabardi, S Caravati, GC Sosso, J Behler, M Bernasconi
Physical Review B 92 (5), 054201, 2015
115 2015 Microscopic mechanism and kinetics of ice formation at complex interfaces: Zooming in on kaolinite GC Sosso, T Li, D Donadio, GA Tribello, A Michaelides
The journal of physical chemistry letters 7 (13), 2350-2355, 2016
107 2016 Thermal transport in phase-change materials from atomistic simulations GC Sosso, D Donadio, S Caravati, J Behler, M Bernasconi
Physical Review B—Condensed Matter and Materials Physics 86 (10), 104301, 2012
106 2012 Analyzing and Driving Cluster Formation in Atomistic Simulations GA Tribello, F Giberti, GC Sosso, M Salvalaglio, M Parrinello
Journal of chemical theory and computation 13 (3), 1317-1327, 2017
101 2017 Understanding the thermal properties of amorphous solids using machine-learning-based interatomic potentials GC Sosso, VL Deringer, SR Elliott, G Csányi
Molecular Simulation 44 (11), 866-880, 2018
100 2018 Vibrational properties of hexagonal Ge2Sb2Te5 from first principles GC Sosso, S Caravati, C Gatti, S Assoni, M Bernasconi
Journal of Physics: Condensed Matter 21 (24), 245401, 2009
98 2009 Breakdown of Stokes–Einstein relation in the supercooled liquid state of phase change materials GC Sosso, J Behler, M Bernasconi
physica status solidi (b) 249 (10), 1880-1885, 2012
97 2012 The atomistic details of the ice recrystallisation inhibition activity of PVA F Bachtiger, TR Congdon, C Stubbs, MI Gibson, GC Sosso
Nature Communications 12 (1), 1323, 2021
86 2021 Ice formation on kaolinite: Insights from molecular dynamics simulations GC Sosso, GA Tribello, A Zen, P Pedevilla, A Michaelides
The Journal of Chemical Physics 145 (21), 211927, 2016
86 2016 Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation M Fitzner, GC Sosso, F Pietrucci, S Pipolo, A Michaelides
Nature communications 8 (1), 2257, 2017
77 2017 Dynamical heterogeneity in the supercooled liquid state of the phase change material gete GC Sosso, J Colombo, J Behler, E Del Gado, M Bernasconi
The Journal of Physical Chemistry B 118 (47), 13621-13628, 2014
76 2014 Atomistic Simulations of the Crystallization and Aging of GeTe Nanowires S Gabardi, E Baldi, E Bosoni, D Campi, S Caravati, GC Sosso, J Behler, ...
The Journal of Physical Chemistry C 121 (42), 23827-23838, 2017
58 2017 