Highlights
Full Publications List
2023
Blow, KE; Whale, TF; Quigley, D; Sosso, GC
Understanding the impact of ammonium ion substitions on heterogeneous ice nucleation Journal Article Forthcoming
In: Faraday Discussions, Forthcoming.
@article{Blow2023Ammonium,
title = {Understanding the impact of ammonium ion substitions on heterogeneous ice nucleation},
author = {KE Blow and TF Whale and D Quigley and GC Sosso},
url = {https://sossogroup.uk/wp-content/uploads/2023/07/Blow2023Ammonium.pdf},
doi = {10.1039/D3FD00097D},
year = {2023},
date = {2023-09-26},
urldate = {2023-09-26},
journal = {Faraday Discussions},
keywords = {},
pubstate = {forthcoming},
tppubtype = {article}
}
Blow, KE; Tribello, GA; Sosso, GC; Quigley, D
Interplay of multiple clusters and initial interface positioning for forward flux sampling simulations of crystal nucleation Journal Article
In: The Journal of Chemical Physics, vol. 158, no. 22, pp. 224102, 2023.
@article{Blow2023Interplayb,
title = {Interplay of multiple clusters and initial interface positioning for forward flux sampling simulations of crystal nucleation},
author = {KE Blow and GA Tribello and GC Sosso and D Quigley},
url = {https://sossogroup.uk/wp-content/uploads/2023/06/Blow2023FFSInterfaces.pdf},
doi = {10.1063/5.0152343},
year = {2023},
date = {2023-06-01},
journal = {The Journal of Chemical Physics},
volume = {158},
number = {22},
pages = {224102},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Fakhoury, Z; Sosso, GC; Habershon, S
Generating protein folding trajectories using contact-map-driven directed walks Journal Article
In: Journal of Chemical Information and Modeling, vol. 63, no. 7, pp. 2181–2195, 2023.
@article{Fkhoury2023ProteinFolding,
title = {Generating protein folding trajectories using contact-map-driven directed walks},
author = {Z Fakhoury and GC Sosso and S Habershon},
url = {https://sossogroup.uk/wp-content/uploads/2023/04/Fakhoury2023ProteinFolding.pdf},
doi = {10.1021/acs.jcim.3c00023},
year = {2023},
date = {2023-04-03},
urldate = {2023-04-03},
journal = {Journal of Chemical Information and Modeling},
volume = {63},
number = {7},
pages = {2181--2195},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
González-Jiménez, M; Barnard, T; Russell, BA; Tukachev, NV; Javornik, U; Hayes, L-A; Farrell, AJ; Guinane, S; Senn, HM; Smith, AJ; Wilding, M; Mali, G; Nakano, M; Miyazaki, Y; McMillan, P; Sosso, GC; Wynne, K
Understanding the emergence of the boson peak in molecular glasses Journal Article
In: Nature Communications, vol. 14, no. 1, pp. 1–11, 2023.
@article{Gonzalez-Jimenez2023Boson,
title = {Understanding the emergence of the boson peak in molecular glasses},
author = {M González-Jiménez and T Barnard and BA Russell and NV Tukachev and U Javornik and L-A Hayes and AJ Farrell and S Guinane and HM Senn and AJ Smith and M Wilding and G Mali and M Nakano and Y Miyazaki and P McMillan and GC Sosso and K Wynne},
url = {https://sossogroup.uk/wp-content/uploads/2023/01/Gonzalez-Jimenez2023Boson.pdf},
doi = {10.1038/s41467-023-35878-6},
year = {2023},
date = {2023-01-13},
urldate = {2023-01-13},
journal = {Nature Communications},
volume = {14},
number = {1},
pages = {1--11},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2022
Barnard, T; Tseng, S; Darby, JP; Bartók, AP; Broo, A; Sosso, GC
Leveraging genetic algorithms to maximise the predictive capabilities of the SOAP descriptor Journal Article
In: Molecular Systems Design & Engineering, 2022.
@article{Barnard2022GAPredictive,
title = {Leveraging genetic algorithms to maximise the predictive capabilities of the SOAP descriptor},
author = {T Barnard and S Tseng and JP Darby and AP Bartók and A Broo and GC Sosso},
url = {https://sossogroup.uk/wp-content/uploads/2022/11/Barnard2022GAPredictive.pdf},
doi = {10.1039/d2me00149g},
year = {2022},
date = {2022-11-03},
urldate = {2022-11-23},
journal = {Molecular Systems Design & Engineering},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Warren, MT; Galpin, I; Hasan, M; Hindmarsh, SA; Padrnos, JD; Edwards-Gayle, C; Mathers, RT; Adams, DJ; Sosso, GC; Gibson, MI
Minimalistic ice recrystallisation inhibitors based on phenylalanine Journal Article
In: Chemical Communications, vol. 58, no. 55, pp. 7658–7661, 2022.
@article{Warren2022Minimalisticb,
title = {Minimalistic ice recrystallisation inhibitors based on phenylalanine},
author = {MT Warren and I Galpin and M Hasan and SA Hindmarsh and JD Padrnos and C Edwards-Gayle and RT Mathers and DJ Adams and GC Sosso and MI Gibson },
url = {https://sossogroup.uk/wp-content/uploads/2022/06/Warren2022Minimalistic.pdf},
doi = {10.1039/D2CC02531K},
year = {2022},
date = {2022-08-20},
urldate = {2022-08-20},
journal = {Chemical Communications},
volume = {58},
number = {55},
pages = {7658--7661},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Sosso, GC; P, Sudera; Backes, AT; Whale, TF; Fröhlich-Nowoisky, J; Bonn, M; Michaelides, A; Backus, EHG
The role of structural order in heterogeneous ice nucleation Journal Article
In: Chemical Science, vol. 13, iss. 17, pp. 5014-5026, 2022.
@article{Sosso2022Structural,
title = {The role of structural order in heterogeneous ice nucleation},
author = {GC Sosso and Sudera P and AT Backes and TF Whale and J Fröhlich-Nowoisky and M Bonn and A Michaelides and EHG Backus},
url = {https://sossogroup.uk/wp-content/uploads/2022/04/StructuralOrderIceNucleation.pdf},
doi = {10.1039/D1SC06338C},
year = {2022},
date = {2022-04-08},
journal = {Chemical Science},
volume = {13},
issue = {17},
pages = {5014-5026},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Warren, MT; Galpin, I; Bachtiger, F; Gibson, MI; Sosso, GC
Ice recrystallization inhibition by amino acids: the curious case of alpha- and beta-alanine Journal Article
In: The Journal of Physical Chemistry Letters, vol. 13, no. 9, pp. 2237-2244, 2022.
@article{Warren22IRI,
title = {Ice recrystallization inhibition by amino acids: the curious case of alpha- and beta-alanine},
author = {MT Warren and I Galpin and F Bachtiger and MI Gibson and GC Sosso},
url = {https://sossogroup.uk/wp-content/uploads/2022/03/IRIbyAminoAcidsWarren.pdf},
doi = {10.1021/acs.jpclett.1c04080},
year = {2022},
date = {2022-03-03},
journal = {The Journal of Physical Chemistry Letters},
volume = {13},
number = {9},
pages = {2237-2244},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Miles, CM; Hsu, P-C; Dixon, AM; Khalid, S; Sosso, GC
Lipid bilayers as potential ice nucleating agents Journal Article
In: Physical Chemistry Chemical Physics, vol. 24, iss. 11, pp. 6476-6491, 2022.
@article{Miles22Lipid,
title = {Lipid bilayers as potential ice nucleating agents},
author = {CM Miles and P-C Hsu and AM Dixon and S Khalid and GC Sosso},
url = {https://sossogroup.uk/wp-content/uploads/2022/03/lipid_bilayers_as_potential_ice_nucleating_agents.pdf},
doi = {10.1039/D1CP05465A},
year = {2022},
date = {2022-03-01},
urldate = {2022-03-01},
journal = {Physical Chemistry Chemical Physics},
volume = {24},
issue = {11},
pages = {6476-6491},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Gasparotto, P; Fitzner, M; Cox, SJ; Sosso, GC; Michaelides, A
How do interfaces alter the dynamics of supercooled water? Journal Article
In: Nanoscale, vol. 14, iss. 11, pp. 4254-4262, 2022.
@article{Gasparotto22Interfaces,
title = {How do interfaces alter the dynamics of supercooled water?},
author = {P Gasparotto and M Fitzner and SJ Cox and GC Sosso and A Michaelides},
url = {https://sossogroup.uk/wp-content/uploads/2022/03/HowdoInterfactesAlterDynamicsofSupercooledWater.pdf},
doi = {10.1039/D2NR00387B},
year = {2022},
date = {2022-02-28},
journal = {Nanoscale},
volume = {14},
issue = {11},
pages = {4254-4262},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2021
Herlihy, A; Geddes, HS; Sosso, GC; Bull, CL; Ridley, CK; Goodwin, AL; Senn, MS; Funnell, NP
Recovering local structure information from high-pressure total scattering experiments Journal Article
In: Journal of Applied Crystallography, vol. 54, no. 6, pp. 1546-1554, 2021.
@article{Herlihy21Recovering,
title = {Recovering local structure information from high-pressure total scattering experiments},
author = {A Herlihy and HS Geddes and GC Sosso and CL Bull and CK Ridley and AL Goodwin and MS Senn and NP Funnell},
url = {https://sossogroup.uk/wp-content/uploads/2021/12/kc5131.pdf},
doi = {10.1107/S1600576721009420},
year = {2021},
date = {2021-09-09},
urldate = {2021-09-09},
journal = {Journal of Applied Crystallography},
volume = {54},
number = {6},
pages = {1546-1554},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Blow, KE; Quigley, D; Sosso, GC
The seven deadly sins: When computing crystal nucleation rates, the devil is in the details Journal Article
In: The Journal of Chemical Physics, vol. 155, no. 4, pp. 040901, 2021.
@article{Blow2021Nucleation,
title = {The seven deadly sins: When computing crystal nucleation rates, the devil is in the details},
author = {KE Blow and D Quigley and GC Sosso },
url = {https://sossogroup.uk/wp-content/uploads/2021/07/Blow2021Nucelation.pdf},
doi = {10.1063/5.0055248},
year = {2021},
date = {2021-07-22},
journal = {The Journal of Chemical Physics},
volume = {155},
number = {4},
pages = {040901},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Stevens, CA; Bachtiger, F; Kong, X-D; Abriata, LA; Sosso, GC; Gibson, MI; Klok, H-A
A minimalistic cyclic ice-binding peptide from phage display Journal Article
In: Nature Communications, vol. 12, pp. 2675, 2021.
@article{Stevens2021Minimalistic,
title = {A minimalistic cyclic ice-binding peptide from phage display},
author = {CA Stevens and F Bachtiger and X-D Kong and LA Abriata and GC Sosso and MI Gibson and H-A Klok},
url = {https://sossogroup.uk/wp-content/uploads/2021/05/s41467-021-22883-w.pdf},
doi = {0.1038/s41467-021-22883-w},
year = {2021},
date = {2021-05-11},
journal = {Nature Communications},
volume = {12},
pages = {2675},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Wang, L; Chen, J; Cox, SJ; Liu, L; Sosso, GC; Li, N; Gao, P; Michaelides, A; Wang, E; Bai, X
Microscopic Kinetics Pathway of Salt Crystallization in Graphene Nanocapillaries Journal Article
In: Physical Review Letters, vol. 126, no. 13, pp. 136001, 2021.
@article{Wang2021Kinetics,
title = {Microscopic Kinetics Pathway of Salt Crystallization in Graphene Nanocapillaries},
author = {L Wang and J Chen and SJ Cox and L Liu and GC Sosso and N Li and P Gao and A Michaelides and E Wang and X Bai},
url = {https://sossogroup.uk/wp-content/uploads/2021/05/PhysRevLett.126.136001.pdf},
doi = {10.1103/PhysRevLett.126.136001},
year = {2021},
date = {2021-03-29},
journal = {Physical Review Letters},
volume = {126},
number = {13},
pages = {136001},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Mistry, MV; Cottom, J; Patel, K; Shluger, AL; Sosso, GC; Pobegen, G
Modelling the interactions and diffusion of NO in amorphous SiO2 Journal Article
In: Modelling and Simulation in Materials Science and Engineering, vol. 29, no. 3, pp. 035008, 2021.
@article{Mistry2021Modelling,
title = {Modelling the interactions and diffusion of NO in amorphous SiO2},
author = {MV Mistry and J Cottom and K Patel and AL Shluger and GC Sosso and G Pobegen},
url = {https://sossogroup.uk/wp-content/uploads/2021/01/NO_in_amorphous_SiO2.pdf},
doi = {10.1088/1361-651X/abdc69},
year = {2021},
date = {2021-03-11},
journal = {Modelling and Simulation in Materials Science and Engineering},
volume = {29},
number = {3},
pages = {035008},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Bachtiger, F; Congdon, TR; Stubbs, C; Gibson, MI; Sosso, GC
The atomistic details of the ice recrystallisation inhibition activity of PVA. Journal Article
In: Nature Communications, vol. 12, no. 1323, 2021.
@article{Bachtiger2021PVA,
title = {The atomistic details of the ice recrystallisation inhibition activity of PVA.},
author = {F Bachtiger and TR Congdon and C Stubbs and MI Gibson and GC Sosso},
url = {https://sossogroup.uk/wp-content/uploads/2021/03/AtomisticPVASosso.pdf},
doi = {0.1038/s41467-021-21717-z},
year = {2021},
date = {2021-02-26},
journal = {Nature Communications},
volume = {12},
number = {1323},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2020
Lawrence, J; Sosso, GC; Đorđević, L; Pinfold, H; Bonifazi, D; Constantini, G
Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding Journal Article
In: Nature Communications, vol. 11, pp. 2103, 2020.
@article{Lawrence2020Combining,
title = {Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding},
author = {J Lawrence and GC Sosso and L Đorđević and H Pinfold and D Bonifazi and G Constantini},
url = {https://sossogroup.uk/wp-content/uploads/2020/05/STM_Halogen.pdf},
doi = {10.1038/s41467-020-15898-2},
year = {2020},
date = {2020-04-30},
journal = {Nature Communications},
volume = {11},
pages = {2103},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Ansari, N; Onat, B; Sosso, GC; Hassanali, A
Insights into the Emerging Networks of Voids in Simulated Supercooled Water Journal Article
In: The Journal of Physical Chemistry B, vol. 124, no. 11, pp. 2180-2190, 2020.
@article{Ansari2020Insights,
title = {Insights into the Emerging Networks of Voids in Simulated Supercooled Water},
author = {N Ansari and B Onat and GC Sosso and A Hassanali},
url = {https://sossogroup.uk/wp-content/uploads/2020/03/acs.jpcb_.9b10144.pdf},
doi = {10.1021/acs.jpcb.9b10144},
year = {2020},
date = {2020-02-07},
journal = {The Journal of Physical Chemistry B},
volume = {124},
number = {11},
pages = {2180-2190},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Barnard, T; Hagan, H; Tseng, S; Sosso, GC
Less may be more: an informed reflection on molecular descriptors for drug design and discovery Journal Article
In: Molecular Systems Design and Engineering, vol. 5, pp. 317-329, 2020.
@article{DrugDesign2020Barnard,
title = {Less may be more: an informed reflection on molecular descriptors for drug design and discovery},
author = {T Barnard and H Hagan and S Tseng and GC Sosso},
url = {https://sossogroup.uk/wp-content/uploads/2019/11/MolecularDescriptorsDrugDesignDiscovery.pdf},
doi = {10.1039/C9ME00109C},
year = {2020},
date = {2020-01-12},
journal = {Molecular Systems Design and Engineering},
volume = {5},
pages = {317-329},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Bosoni, E; Campi, D; Donadio, D; Sosso, G C; Behler, J; Bernasconi, M
Atomistic simulations of thermal conductivity in GeTe nanowires Journal Article
In: Journal of Physics D: Applied Physics, vol. 53, pp. 054001, 2020.
@article{Bosoni2020GeTeNanowires,
title = {Atomistic simulations of thermal conductivity in GeTe nanowires},
author = {E Bosoni and D Campi and D Donadio and G C Sosso and J Behler and M Bernasconi },
url = {https://sossogroup.uk/wp-content/uploads/2019/11/Bosoni_2020_J._Phys._D3A_Appl._Phys._53_054001.pdf},
doi = {10.1088/1361-6463/ab5478},
year = {2020},
date = {2020-01-01},
journal = {Journal of Physics D: Applied Physics},
volume = {53},
pages = {054001},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2019
Sosso, GC; Bernasconi, M
Harnessing machine learning potentials to understand the functional properties of phase-change materials Journal Article
In: MRS Bulletin, vol. 44, no. 9, pp. 705-709, 2019.
@article{HarnessingMLSosso2019,
title = {Harnessing machine learning potentials to understand the functional properties of phase-change materials},
author = {GC Sosso and M Bernasconi},
url = { https://doi.org/10.1557/mrs.2019.202
https://soss-2fcc96.ingress-alpha.easywp.com/wp-content/uploads/2019/11/harnessing_machine_learning_potentials_to_understand_the_functional_properties_of_phasechange_materials.pdf},
doi = {10.1557/mrs.2019.202},
year = {2019},
date = {2019-09-05},
journal = {MRS Bulletin},
volume = {44},
number = {9},
pages = {705-709},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Ishibe, T; Congdon, T; Stubbs, C; Hasan, M; Sosso, GC; Gibson, MI
Enhancement of Macromolecular Ice Recrystallization Inhibition Activity by Exploiting Depletion Forces Journal Article
In: ACS Macro Letters, vol. 8, pp. 1063-1067, 2019.
@article{EnhancementIshibe2019,
title = {Enhancement of Macromolecular Ice Recrystallization Inhibition Activity by Exploiting Depletion Forces},
author = {T Ishibe and T Congdon and C Stubbs and M Hasan and GC Sosso and MI Gibson},
url = {https://pubs.acs.org/doi/abs/10.1021/acsmacrolett.9b00386
https://soss-2fcc96.ingress-alpha.easywp.com/wp-content/uploads/2019/11/macro_ice_inhibition_2019.pdf},
doi = {10.1021/acsmacrolett.9b00386},
year = {2019},
date = {2019-08-09},
journal = {ACS Macro Letters},
volume = {8},
pages = {1063-1067},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Fitzner, Martin; Sosso, Gabriele C; Cox, Stephen J; Michaelides, Angelos
Ice is born in low-mobility regions of supercooled liquid water Journal Article
In: Proceedings of the National Academy of Sciences, pp. 201817135, 2019, ISSN: 0027-8424, 1091-6490.
@article{fitzner_ice_2019,
title = {Ice is born in low-mobility regions of supercooled liquid water},
author = {Martin Fitzner and Gabriele C Sosso and Stephen J Cox and Angelos Michaelides},
url = {http://www.pnas.org/lookup/doi/10.1073/pnas.1817135116},
doi = {10.1073/pnas.1817135116},
issn = {0027-8424, 1091-6490},
year = {2019},
date = {2019-01-01},
urldate = {2019-01-31},
journal = {Proceedings of the National Academy of Sciences},
pages = {201817135},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Bonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Tribello, Gareth A; Consortium, The PLUMED
Promoting transparency and reproducibility in enhanced molecular simulations Journal Article
In: Nature Methods, vol. 16, no. 8, pp. 670–673, 2019, ISSN: 1548-7105.
@article{bonomi_promoting_2019b,
title = {Promoting transparency and reproducibility in enhanced molecular simulations},
author = {Massimiliano Bonomi and Giovanni Bussi and Carlo Camilloni and Gareth A Tribello and The PLUMED Consortium},
url = {https://doi.org/10.1038/s41592-019-0506-8},
doi = {10.1038/s41592-019-0506-8},
issn = {1548-7105},
year = {2019},
date = {2019-01-01},
journal = {Nature Methods},
volume = {16},
number = {8},
pages = {670--673},
abstract = {The PLUMED consortium unifies developers and contributors to PLUMED, an open-source library for enhanced-sampling, free-energy calculations and the analysis of molecular dynamics simulations. Here, we outline our efforts to promote transparency and reproducibility by disseminating protocols for enhanced-sampling molecular simulations.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2018
Pedevilla, Philipp; Fitzner, Martin; Sosso, Gabriele C; Michaelides, Angelos
Heterogeneous seeded molecular dynamics as a tool to probe the ice nucleating ability of crystalline surfaces Journal Article
In: The Journal of Chemical Physics, vol. 149, no. 7, pp. 072327, 2018, ISSN: 0021-9606.
@article{pedevilla_heterogeneous_2018,
title = {Heterogeneous seeded molecular dynamics as a tool to probe the ice nucleating ability of crystalline surfaces},
author = {Philipp Pedevilla and Martin Fitzner and Gabriele C Sosso and Angelos Michaelides},
url = {https://aip.scitation.org/doi/10.1063/1.5029336},
doi = {10.1063/1.5029336},
issn = {0021-9606},
year = {2018},
date = {2018-06-01},
urldate = {2018-06-28},
journal = {The Journal of Chemical Physics},
volume = {149},
number = {7},
pages = {072327},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Sosso, Gabriele C; Deringer, Volker L; Elliott, Stephen R; Csányi, Gábor
Understanding the thermal properties of amorphous solids using machine-learning-based interatomic potentials Journal Article
In: Molecular Simulation, pp. 1–15, 2018, ISSN: 0892-7022, 1029-0435.
@article{sosso_understanding_2018,
title = {Understanding the thermal properties of amorphous solids using machine-learning-based interatomic potentials},
author = {Gabriele C Sosso and Volker L Deringer and Stephen R Elliott and Gábor Csányi},
url = {https://www.tandfonline.com/doi/full/10.1080/08927022.2018.1447107},
doi = {10.1080/08927022.2018.1447107},
issn = {0892-7022, 1029-0435},
year = {2018},
date = {2018-03-01},
urldate = {2018-04-16},
journal = {Molecular Simulation},
pages = {1--15},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Sosso, Gabriele C; Whale, Thomas F; Holden, Mark A; Pedevilla, Philipp; Murray, Benjamin J; Michaelides, Angelos
Unravelling the origins of ice nucleation on organic crystals Journal Article
In: Chemical Science, 2018, ISSN: 2041-6520, 2041-6539.
@article{sosso_unravelling_2018,
title = {Unravelling the origins of ice nucleation on organic crystals},
author = {Gabriele C Sosso and Thomas F Whale and Mark A Holden and Philipp Pedevilla and Benjamin J Murray and Angelos Michaelides},
url = {http://xlink.rsc.org/?DOI=C8SC02753F},
doi = {10.1039/C8SC02753F},
issn = {2041-6520, 2041-6539},
year = {2018},
date = {2018-01-01},
urldate = {2018-09-10},
journal = {Chemical Science},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Gabardi, Silvia; Sosso, Gabriele G; Behler, Joerg; Bernasconi, Marco
Priming effects in the crystallization of the phase change compound GeTe from atomistic simulations Journal Article
In: Faraday Discussions, 2018, ISSN: 1359-6640, 1364-5498.
@article{gabardi_priming_2018,
title = {Priming effects in the crystallization of the phase change compound GeTe from atomistic simulations},
author = {Silvia Gabardi and Gabriele G Sosso and Joerg Behler and Marco Bernasconi},
url = {http://xlink.rsc.org/?DOI=C8FD00101D},
doi = {10.1039/C8FD00101D},
issn = {1359-6640, 1364-5498},
year = {2018},
date = {2018-01-01},
urldate = {2018-12-21},
journal = {Faraday Discussions},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Ansari, N; Dandekar, R; Caravati, S; Sosso, G C; Hassanali, A
High and low density patches in simulated liquid water Journal Article
In: The Journal of Chemical Physics, vol. 149, no. 20, pp. 204507, 2018, ISSN: 0021-9606, 1089-7690.
@article{ansari_high_2018,
title = {High and low density patches in simulated liquid water},
author = {N Ansari and R Dandekar and S Caravati and G C Sosso and A Hassanali},
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2017
Bosoni, Emanuele; Sosso, Gabriele Cesare; Bernasconi, Marco
Grüneisen parameters and thermal conductivity in the phase change compound GeTe Journal Article
In: Journal of Computational Electronics, vol. 16, no. 4, pp. 997–1002, 2017, ISSN: 1569-8025, 1572-8137.
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Fitzner, Martin; Sosso, Gabriele C; Pietrucci, Fabio; Pipolo, Silvio; Michaelides, Angelos
Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation Journal Article
In: Nature Communications, vol. 8, no. 1, 2017, ISSN: 2041-1723.
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Tribello, Gareth A; Giberti, Federico; Sosso, Gabriele C; Salvalaglio, Matteo; Parrinello, Michele
Analyzing and Driving Cluster Formation in Atomistic Simulations Journal Article
In: Journal of Chemical Theory and Computation, vol. 13, no. 3, pp. 1317–1327, 2017, ISSN: 1549-9618, 1549-9626.
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Gabardi, S; Baldi, E; Bosoni, E; Campi, D; Caravati, S; Sosso, G C; Behler, J; Bernasconi, M
Atomistic Simulations of the Crystallization and Aging of GeTe Nanowires Journal Article
In: The Journal of Physical Chemistry C, vol. 121, no. 42, pp. 23827–23838, 2017, ISSN: 1932-7447, 1932-7455.
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Fitzner, Martin; Joly, Laurent; Ma, Ming; Sosso, Gabriele C; Zen, Andrea; Michaelides, Angelos
Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces Journal Article
In: The Journal of Chemical Physics, vol. 147, no. 12, pp. 121102, 2017, ISSN: 0021-9606, 1089-7690.
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Shephard, Jacob J; Ling, Sanliang; Sosso, Gabriele C; Michaelides, Angelos; Slater, Ben; Salzmann, Christoph G
Is High-Density Amorphous Ice Simply a “Derailed” State along the Ice I to Ice IV Pathway? Journal Article
In: The Journal of Physical Chemistry Letters, vol. 8, no. 7, pp. 1645–1650, 2017, ISSN: 1948-7185.
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Sosso, Gabriele Cesare; Caravati, Sebastiano; Rotskoff, Grant; Vaikuntanathan, Suriyanarayan; Hassanali, Ali
On the Role of Nonspherical Cavities in Short Length-Scale Density Fluctuations in Water Journal Article
In: The Journal of Physical Chemistry A, vol. 121, no. 1, pp. 370–380, 2017, ISSN: 1089-5639, 1520-5215.
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Tribello, Gareth A; Giberti, Federico; Sosso, Gabriele C; Salvalaglio, Matteo; Parrinello, Michele
Analyzing and Driving Cluster Formation in Atomistic Simulations Journal Article
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Shephard, Jacob J; Ling, Sanliang; Sosso, Gabriele C; Michaelides, Angelos; Slater, Ben; Salzmann, Christoph G
Is High-Density Amorphous Ice Simply a “Derailed” State along the Ice I to Ice IV Pathway? Journal Article
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Bosoni, Emanuele; Sosso, Gabriele Cesare; Bernasconi, Marco
Grüneisen parameters and thermal conductivity in the phase change compound GeTe Journal Article
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Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces Journal Article
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Atomistic Simulations of the Crystallization and Aging of GeTe Nanowires Journal Article
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Fitzner, Martin; Sosso, Gabriele C; Pietrucci, Fabio; Pipolo, Silvio; Michaelides, Angelos
Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation Journal Article
In: Nature Communications, vol. 8, no. 1, pp. 2257, 2017.
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2016
Sosso, Gabriele C; Tribello, Gareth A; Zen, Andrea; Pedevilla, Philipp; Michaelides, Angelos
Ice formation on kaolinite: Insights from molecular dynamics simulations Journal Article
In: The Journal of Chemical Physics, vol. 145, no. 21, pp. 211927, 2016, ISSN: 0021-9606, 1089-7690.
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Sosso, G C; Behler, J; Bernasconi, M
Atomic mobility in the overheated amorphous GeTe compound for phase change memories: Atomic mobility in overheated amorphous GeTe Journal Article
In: Physica Status Solidi A, vol. 213, no. 2, pp. 329–334, 2016, ISSN: 18626300.
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Sosso, Gabriele C; Chen, Ji; Cox, Stephen J; Fitzner, Martin; Pedevilla, Philipp; Zen, Andrea; Michaelides, Angelos
Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations Journal Article
In: Chemical Reviews, vol. 116, no. 12, pp. 7078–7116, 2016, ISSN: 0009-2665, 1520-6890.
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Sosso, Gabriele C; Li, Tianshu; Donadio, Davide; Tribello, Gareth A; Michaelides, Angelos
Microscopic Mechanism and Kinetics of Ice Formation at Complex Interfaces: Zooming in on Kaolinite Journal Article
In: The Journal of Physical Chemistry Letters, vol. 7, no. 13, pp. 2350–2355, 2016, ISSN: 1948-7185.
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Atomic mobility in the overheated amorphous GeTe compound for phase change memories Journal Article
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Sosso, Gabriele C; Chen, Ji; Cox, Stephen J; Fitzner, Martin; Pedevilla, Philipp; Zen, Andrea; Michaelides, Angelos
Crystal nucleation in liquids: Open questions and future challenges in molecular dynamics simulations Journal Article
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Microscopic mechanism and kinetics of ice formation at complex interfaces: Zooming in on kaolinite Journal Article
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Ice formation on kaolinite: Insights from molecular dynamics simulations Journal Article
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