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 | 878 | 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 | 745 | 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 | 270 | 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 | 242 | 2015 |
Vibrational properties of crystalline Sb2Te3 from first principles GC Sosso, S Caravati, M Bernasconi Journal of Physics: Condensed Matter 21 (9), 095410, 2009 | 209 | 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 | 167 | 2013 |
Raman spectra of cubic and amorphous GeSbTe from first principles GC Sosso, S Caravati, R Mazzarello, M Bernasconi Physical Review B—Condensed Matter and Materials Physics 83 (13), 134201, 2011 | 131 | 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 | 114 | 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 | 105 | 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 | 103 | 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 | 102 | 2012 |
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 | 98 | 2018 |
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 | 97 | 2017 |
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 | 96 | 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 | 94 | 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 | 82 | 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 | 80 | 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 | 75 | 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 | 75 | 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 | 55 | 2017 |