2019
|
| Fitzner, Martin; Sosso, Gabriele C; Cox, Stephen J; Michaelides, Angelos Ice is born in low-mobility regions of supercooled liquid water Journal Article Proceedings of the National Academy of Sciences, pp. 201817135, 2019, ISSN: 0027-8424, 1091-6490. Links | BibTeX @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 Nature Methods, 16 (8), pp. 670–673, 2019, ISSN: 1548-7105. Abstract | Links | BibTeX @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}
}
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. |
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 The Journal of Chemical Physics, 149 (7), pp. 072327, 2018, ISSN: 0021-9606. Links | BibTeX @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 Molecular Simulation, pp. 1–15, 2018, ISSN: 0892-7022, 1029-0435. Links | BibTeX @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 Chemical Science, 2018, ISSN: 2041-6520, 2041-6539. Links | BibTeX @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 Faraday Discussions, 2018, ISSN: 1359-6640, 1364-5498. Links | BibTeX @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 The Journal of Chemical Physics, 149 (20), pp. 204507, 2018, ISSN: 0021-9606, 1089-7690. Links | BibTeX @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},
url = {http://aip.scitation.org/doi/10.1063/1.5053559},
doi = {10.1063/1.5053559},
issn = {0021-9606, 1089-7690},
year = {2018},
date = {2018-01-01},
urldate = {2018-12-21},
journal = {The Journal of Chemical Physics},
volume = {149},
number = {20},
pages = {204507},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
2017
|
| Bosoni, Emanuele; Sosso, Gabriele Cesare; Bernasconi, Marco Grüneisen parameters and thermal conductivity in the phase change compound GeTe Journal Article Journal of Computational Electronics, 16 (4), pp. 997–1002, 2017, ISSN: 1569-8025, 1572-8137. Links | BibTeX @article{bosoni_gruneisen_2017,
title = {Grüneisen parameters and thermal conductivity in the phase change compound GeTe},
author = {Emanuele Bosoni and Gabriele Cesare Sosso and Marco Bernasconi},
url = {http://link.springer.com/10.1007/s10825-017-1040-5},
doi = {10.1007/s10825-017-1040-5},
issn = {1569-8025, 1572-8137},
year = {2017},
date = {2017-12-01},
urldate = {2018-04-16},
journal = {Journal of Computational Electronics},
volume = {16},
number = {4},
pages = {997--1002},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Fitzner, Martin; Sosso, Gabriele C; Pietrucci, Fabio; Pipolo, Silvio; Michaelides, Angelos Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation Journal Article Nature Communications, 8 (1), 2017, ISSN: 2041-1723. Links | BibTeX @article{fitzner_pre-critical_2017,
title = {Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation},
author = {Martin Fitzner and Gabriele C Sosso and Fabio Pietrucci and Silvio Pipolo and Angelos Michaelides},
url = {http://www.nature.com/articles/s41467-017-02300-x},
doi = {10.1038/s41467-017-02300-x},
issn = {2041-1723},
year = {2017},
date = {2017-12-01},
urldate = {2018-04-16},
journal = {Nature Communications},
volume = {8},
number = {1},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Tribello, Gareth A; Giberti, Federico; Sosso, Gabriele C; Salvalaglio, Matteo; Parrinello, Michele Analyzing and Driving Cluster Formation in Atomistic Simulations Journal Article Journal of Chemical Theory and Computation, 13 (3), pp. 1317–1327, 2017, ISSN: 1549-9618, 1549-9626. Links | BibTeX @article{tribello_analyzing_2017,
title = {Analyzing and Driving Cluster Formation in Atomistic Simulations},
author = {Gareth A Tribello and Federico Giberti and Gabriele C Sosso and Matteo Salvalaglio and Michele Parrinello},
url = {http://pubs.acs.org/doi/10.1021/acs.jctc.6b01073},
doi = {10.1021/acs.jctc.6b01073},
issn = {1549-9618, 1549-9626},
year = {2017},
date = {2017-01-01},
urldate = {2018-04-16},
journal = {Journal of Chemical Theory and Computation},
volume = {13},
number = {3},
pages = {1317--1327},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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 The Journal of Physical Chemistry C, 121 (42), pp. 23827–23838, 2017, ISSN: 1932-7447, 1932-7455. Links | BibTeX @article{gabardi_atomistic_2017,
title = {Atomistic Simulations of the Crystallization and Aging of GeTe Nanowires},
author = {S Gabardi and E Baldi and E Bosoni and D Campi and S Caravati and G C Sosso and J Behler and M Bernasconi},
url = {http://pubs.acs.org/doi/10.1021/acs.jpcc.7b09862},
doi = {10.1021/acs.jpcc.7b09862},
issn = {1932-7447, 1932-7455},
year = {2017},
date = {2017-01-01},
urldate = {2018-04-16},
journal = {The Journal of Physical Chemistry C},
volume = {121},
number = {42},
pages = {23827--23838},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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 The Journal of Chemical Physics, 147 (12), pp. 121102, 2017, ISSN: 0021-9606, 1089-7690. Links | BibTeX @article{fitzner_communication:_2017,
title = {Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces},
author = {Martin Fitzner and Laurent Joly and Ming Ma and Gabriele C Sosso and Andrea Zen and Angelos Michaelides},
url = {http://aip.scitation.org/doi/10.1063/1.4997698},
doi = {10.1063/1.4997698},
issn = {0021-9606, 1089-7690},
year = {2017},
date = {2017-01-01},
urldate = {2018-04-16},
journal = {The Journal of Chemical Physics},
volume = {147},
number = {12},
pages = {121102},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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 The Journal of Physical Chemistry Letters, 8 (7), pp. 1645–1650, 2017, ISSN: 1948-7185. Links | BibTeX @article{shephard_is_2017,
title = {Is High-Density Amorphous Ice Simply a “Derailed” State along the Ice I to Ice IV Pathway?},
author = {Jacob J Shephard and Sanliang Ling and Gabriele C Sosso and Angelos Michaelides and Ben Slater and Christoph G Salzmann},
url = {http://pubs.acs.org/doi/10.1021/acs.jpclett.7b00492},
doi = {10.1021/acs.jpclett.7b00492},
issn = {1948-7185},
year = {2017},
date = {2017-01-01},
urldate = {2018-04-16},
journal = {The Journal of Physical Chemistry Letters},
volume = {8},
number = {7},
pages = {1645--1650},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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 The Journal of Physical Chemistry A, 121 (1), pp. 370–380, 2017, ISSN: 1089-5639, 1520-5215. Links | BibTeX @article{sosso_role_2017,
title = {On the Role of Nonspherical Cavities in Short Length-Scale Density Fluctuations in Water},
author = {Gabriele Cesare Sosso and Sebastiano Caravati and Grant Rotskoff and Suriyanarayan Vaikuntanathan and Ali Hassanali},
url = {http://pubs.acs.org/doi/10.1021/acs.jpca.6b11168},
doi = {10.1021/acs.jpca.6b11168},
issn = {1089-5639, 1520-5215},
year = {2017},
date = {2017-01-01},
urldate = {2018-04-16},
journal = {The Journal of Physical Chemistry A},
volume = {121},
number = {1},
pages = {370--380},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Tribello, Gareth A; Giberti, Federico; Sosso, Gabriele C; Salvalaglio, Matteo; Parrinello, Michele Analyzing and Driving Cluster Formation in Atomistic Simulations Journal Article Journal of chemical theory and computation, 13 (3), pp. 1317–1327, 2017. BibTeX @article{tribello2017analyzing,
title = {Analyzing and Driving Cluster Formation in Atomistic Simulations},
author = {Gareth A Tribello and Federico Giberti and Gabriele C Sosso and Matteo Salvalaglio and Michele Parrinello},
year = {2017},
date = {2017-01-01},
journal = {Journal of chemical theory and computation},
volume = {13},
number = {3},
pages = {1317--1327},
publisher = {American Chemical Society},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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 The Journal of Physical Chemistry Letters, 8 (7), pp. 1645–1650, 2017. BibTeX @article{shephard2017high,
title = {Is High-Density Amorphous Ice Simply a “Derailed” State along the Ice I to Ice IV Pathway?},
author = {Jacob J Shephard and Sanliang Ling and Gabriele C Sosso and Angelos Michaelides and Ben Slater and Christoph G Salzmann},
year = {2017},
date = {2017-01-01},
journal = {The Journal of Physical Chemistry Letters},
volume = {8},
number = {7},
pages = {1645--1650},
publisher = {American Chemical Society},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Bosoni, Emanuele; Sosso, Gabriele Cesare; Bernasconi, Marco Grüneisen parameters and thermal conductivity in the phase change compound GeTe Journal Article Journal of Computational Electronics, 16 (4), pp. 997–1002, 2017. BibTeX @article{bosoni2017gruneisen,
title = {Grüneisen parameters and thermal conductivity in the phase change compound GeTe},
author = {Emanuele Bosoni and Gabriele Cesare Sosso and Marco Bernasconi},
year = {2017},
date = {2017-01-01},
journal = {Journal of Computational Electronics},
volume = {16},
number = {4},
pages = {997--1002},
publisher = {Springer US},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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 The Journal of Chemical Physics, 147 (12), pp. 121102, 2017. BibTeX @article{fitzner2017communication,
title = {Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces},
author = {Martin Fitzner and Laurent Joly and Ming Ma and Gabriele C Sosso and Andrea Zen and Angelos Michaelides},
year = {2017},
date = {2017-01-01},
journal = {The Journal of Chemical Physics},
volume = {147},
number = {12},
pages = {121102},
publisher = {AIP Publishing},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Gabardi, S; Baldi, E; Bosoni, E; Campi, D; Caravati, S; Sosso, GC; Behler, J; Bernasconi, M Atomistic Simulations of the Crystallization and Aging of GeTe Nanowires Journal Article The Journal of Physical Chemistry C, 121 (42), pp. 23827–23838, 2017. BibTeX @article{gabardi2017atomistic,
title = {Atomistic Simulations of the Crystallization and Aging of GeTe Nanowires},
author = {S Gabardi and E Baldi and E Bosoni and D Campi and S Caravati and GC Sosso and J Behler and M Bernasconi},
year = {2017},
date = {2017-01-01},
journal = {The Journal of Physical Chemistry C},
volume = {121},
number = {42},
pages = {23827--23838},
publisher = {American Chemical Society},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Fitzner, Martin; Sosso, Gabriele C; Pietrucci, Fabio; Pipolo, Silvio; Michaelides, Angelos Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation Journal Article Nature Communications, 8 (1), pp. 2257, 2017. BibTeX @article{fitzner2017pre,
title = {Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation},
author = {Martin Fitzner and Gabriele C Sosso and Fabio Pietrucci and Silvio Pipolo and Angelos Michaelides},
year = {2017},
date = {2017-01-01},
journal = {Nature Communications},
volume = {8},
number = {1},
pages = {2257},
publisher = {Nature Publishing Group},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
2016
|
| Sosso, Gabriele C; Tribello, Gareth A; Zen, Andrea; Pedevilla, Philipp; Michaelides, Angelos Ice formation on kaolinite: Insights from molecular dynamics simulations Journal Article The Journal of Chemical Physics, 145 (21), pp. 211927, 2016, ISSN: 0021-9606, 1089-7690. Links | BibTeX @article{sosso_ice_2016,
title = {Ice formation on kaolinite: Insights from molecular dynamics simulations},
author = {Gabriele C Sosso and Gareth A Tribello and Andrea Zen and Philipp Pedevilla and Angelos Michaelides},
url = {http://aip.scitation.org/doi/10.1063/1.4968796},
doi = {10.1063/1.4968796},
issn = {0021-9606, 1089-7690},
year = {2016},
date = {2016-12-01},
urldate = {2018-04-16},
journal = {The Journal of Chemical Physics},
volume = {145},
number = {21},
pages = {211927},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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 Physica Status Solidi A, 213 (2), pp. 329–334, 2016, ISSN: 18626300. Links | BibTeX @article{sosso_atomic_2016,
title = {Atomic mobility in the overheated amorphous GeTe compound for phase change memories: Atomic mobility in overheated amorphous GeTe},
author = {G C Sosso and J Behler and M Bernasconi},
url = {http://doi.wiley.com/10.1002/pssa.201532378},
doi = {10.1002/pssa.201532378},
issn = {18626300},
year = {2016},
date = {2016-01-01},
urldate = {2018-04-16},
journal = {Physica Status Solidi A},
volume = {213},
number = {2},
pages = {329--334},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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 Chemical Reviews, 116 (12), pp. 7078–7116, 2016, ISSN: 0009-2665, 1520-6890. Links | BibTeX @article{sosso_crystal_2016,
title = {Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations},
author = {Gabriele C Sosso and Ji Chen and Stephen J Cox and Martin Fitzner and Philipp Pedevilla and Andrea Zen and Angelos Michaelides},
url = {http://pubs.acs.org/doi/10.1021/acs.chemrev.5b00744},
doi = {10.1021/acs.chemrev.5b00744},
issn = {0009-2665, 1520-6890},
year = {2016},
date = {2016-01-01},
urldate = {2018-04-16},
journal = {Chemical Reviews},
volume = {116},
number = {12},
pages = {7078--7116},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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 The Journal of Physical Chemistry Letters, 7 (13), pp. 2350–2355, 2016, ISSN: 1948-7185. Links | BibTeX @article{sosso_microscopic_2016,
title = {Microscopic Mechanism and Kinetics of Ice Formation at Complex Interfaces: Zooming in on Kaolinite},
author = {Gabriele C Sosso and Tianshu Li and Davide Donadio and Gareth A Tribello and Angelos Michaelides},
url = {http://pubs.acs.org/doi/10.1021/acs.jpclett.6b01013},
doi = {10.1021/acs.jpclett.6b01013},
issn = {1948-7185},
year = {2016},
date = {2016-01-01},
urldate = {2018-04-16},
journal = {The Journal of Physical Chemistry Letters},
volume = {7},
number = {13},
pages = {2350--2355},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Sosso, GC; Behler, J; Bernasconi, M Atomic mobility in the overheated amorphous GeTe compound for phase change memories Journal Article physica status solidi (a), 213 (2), pp. 329–334, 2016. BibTeX @article{sosso2016atomic,
title = {Atomic mobility in the overheated amorphous GeTe compound for phase change memories},
author = {GC Sosso and J Behler and M Bernasconi},
year = {2016},
date = {2016-01-01},
journal = {physica status solidi (a)},
volume = {213},
number = {2},
pages = {329--334},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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 Chemical reviews, 116 (12), pp. 7078–7116, 2016. BibTeX @article{sosso2016crystal,
title = {Crystal nucleation in liquids: Open questions and future challenges in molecular dynamics simulations},
author = {Gabriele C Sosso and Ji Chen and Stephen J Cox and Martin Fitzner and Philipp Pedevilla and Andrea Zen and Angelos Michaelides},
year = {2016},
date = {2016-01-01},
journal = {Chemical reviews},
volume = {116},
number = {12},
pages = {7078--7116},
publisher = {American Chemical Society},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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 The journal of physical chemistry letters, 7 (13), pp. 2350–2355, 2016. BibTeX @article{sosso2016microscopic,
title = {Microscopic mechanism and kinetics of ice formation at complex interfaces: Zooming in on kaolinite},
author = {Gabriele C Sosso and Tianshu Li and Davide Donadio and Gareth A Tribello and Angelos Michaelides},
year = {2016},
date = {2016-01-01},
journal = {The journal of physical chemistry letters},
volume = {7},
number = {13},
pages = {2350--2355},
publisher = {American Chemical Society},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Sosso, Gabriele C; Tribello, Gareth A; Zen, Andrea; Pedevilla, Philipp; Michaelides, Angelos Ice formation on kaolinite: Insights from molecular dynamics simulations Journal Article The Journal of Chemical Physics, 145 (21), pp. 211927, 2016. BibTeX @article{sosso2016ice,
title = {Ice formation on kaolinite: Insights from molecular dynamics simulations},
author = {Gabriele C Sosso and Gareth A Tribello and Andrea Zen and Philipp Pedevilla and Angelos Michaelides},
year = {2016},
date = {2016-01-01},
journal = {The Journal of Chemical Physics},
volume = {145},
number = {21},
pages = {211927},
publisher = {AIP Publishing},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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 The Journal of Physical Chemistry A, 121 (1), pp. 370–380, 2016. BibTeX @article{sosso2016role,
title = {On the Role of Nonspherical Cavities in Short Length-Scale Density Fluctuations in Water},
author = {Gabriele Cesare Sosso and Sebastiano Caravati and Grant Rotskoff and Suriyanarayan Vaikuntanathan and Ali Hassanali},
year = {2016},
date = {2016-01-01},
journal = {The Journal of Physical Chemistry A},
volume = {121},
number = {1},
pages = {370--380},
publisher = {American Chemical Society},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
2015
|
| Fitzner, Martin; Sosso, Gabriele C; Cox, Stephen J; Michaelides, Angelos The Many Faces of Heterogeneous Ice Nucleation: Interplay Between Surface Morphology and Hydrophobicity Journal Article Journal of the American Chemical Society, 137 (42), pp. 13658–13669, 2015, ISSN: 0002-7863, 1520-5126. Links | BibTeX @article{fitzner_many_2015,
title = {The Many Faces of Heterogeneous Ice Nucleation: Interplay Between Surface Morphology and Hydrophobicity},
author = {Martin Fitzner and Gabriele C Sosso and Stephen J Cox and Angelos Michaelides},
url = {http://pubs.acs.org/doi/10.1021/jacs.5b08748},
doi = {10.1021/jacs.5b08748},
issn = {0002-7863, 1520-5126},
year = {2015},
date = {2015-10-01},
urldate = {2018-04-16},
journal = {Journal of the American Chemical Society},
volume = {137},
number = {42},
pages = {13658--13669},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Sosso, Gabriele C; Salvalaglio, Matteo; Behler, Jörg; Bernasconi, Marco; Parrinello, Michele Heterogeneous Crystallization of the Phase Change Material GeTe via Atomistic Simulations Journal Article The Journal of Physical Chemistry C, 119 (11), pp. 6428–6434, 2015, ISSN: 1932-7447, 1932-7455. Links | BibTeX @article{sosso_heterogeneous_2015,
title = {Heterogeneous Crystallization of the Phase Change Material GeTe via Atomistic Simulations},
author = {Gabriele C Sosso and Matteo Salvalaglio and Jörg Behler and Marco Bernasconi and Michele Parrinello},
url = {http://pubs.acs.org/doi/10.1021/acs.jpcc.5b00296},
doi = {10.1021/acs.jpcc.5b00296},
issn = {1932-7447, 1932-7455},
year = {2015},
date = {2015-03-01},
urldate = {2018-04-16},
journal = {The Journal of Physical Chemistry C},
volume = {119},
number = {11},
pages = {6428--6434},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Campi, D; Baldi, E; Graceffa, G; Sosso, G C; Bernasconi, M Electron–phonon interaction and thermal boundary resistance at the interfaces of Ge2Sb2Te5 with metals and dielectrics Journal Article Journal of Physics: Condensed Matter, 27 (17), pp. 175009, 2015, ISSN: 0953-8984, 1361-648X. Links | BibTeX @article{campi_electronphonon_2015,
title = {Electron–phonon interaction and thermal boundary resistance at the interfaces of Ge2Sb2Te5 with metals and dielectrics},
author = {D Campi and E Baldi and G Graceffa and G C Sosso and M Bernasconi},
url = {http://stacks.iop.org/0953-8984/27/i=17/a=175009?key=crossref.4d7b664bea22f99f7f0ff0ceb7d10aa7},
doi = {10.1088/0953-8984/27/17/175009},
issn = {0953-8984, 1361-648X},
year = {2015},
date = {2015-01-01},
urldate = {2018-04-16},
journal = {Journal of Physics: Condensed Matter},
volume = {27},
number = {17},
pages = {175009},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Campi, Davide; Donadio, Davide; Sosso, Gabriele C; Behler, Jörg; Bernasconi, Marco Electron-phonon interaction and thermal boundary resistance at the crystal-amorphous interface of the phase change compound GeTe Journal Article Journal of Applied Physics, 117 (1), pp. 015304, 2015, ISSN: 0021-8979, 1089-7550. Links | BibTeX @article{campi_electron-phonon_2015,
title = {Electron-phonon interaction and thermal boundary resistance at the crystal-amorphous interface of the phase change compound GeTe},
author = {Davide Campi and Davide Donadio and Gabriele C Sosso and Jörg Behler and Marco Bernasconi},
url = {http://aip.scitation.org/doi/10.1063/1.4904910},
doi = {10.1063/1.4904910},
issn = {0021-8979, 1089-7550},
year = {2015},
date = {2015-01-01},
urldate = {2018-04-16},
journal = {Journal of Applied Physics},
volume = {117},
number = {1},
pages = {015304},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Caravati, Sebastiano; Sosso, Gabriele C; Bernasconi, Marco Functional Properties of Phase Change Materials from Atomistic Simulations Incollection Massobrio, Carlo; Du, Jincheng; Bernasconi, Marco; Salmon, Philip S (Ed.): Molecular Dynamics Simulations of Disordered Materials, 215 , pp. 415–440, Springer International Publishing, Cham, 2015, ISBN: 978-3-319-15674-3 978-3-319-15675-0. Links | BibTeX @incollection{massobrio_functional_2015,
title = {Functional Properties of Phase Change Materials from Atomistic Simulations},
author = {Sebastiano Caravati and Gabriele C Sosso and Marco Bernasconi},
editor = {Carlo Massobrio and Jincheng Du and Marco Bernasconi and Philip S Salmon},
url = {http://link.springer.com/10.1007/978-3-319-15675-0_15},
doi = {10.1007/978-3-319-15675-0_15},
isbn = {978-3-319-15674-3 978-3-319-15675-0},
year = {2015},
date = {2015-01-01},
urldate = {2018-04-16},
booktitle = {Molecular Dynamics Simulations of Disordered Materials},
volume = {215},
pages = {415--440},
publisher = {Springer International Publishing},
address = {Cham},
keywords = {},
pubstate = {published},
tppubtype = {incollection}
}
|
| Gabardi, S; Caravati, S; Sosso, G C; Behler, J; Bernasconi, M Microscopic origin of resistance drift in the amorphous state of the phase-change compound GeTe Journal Article Physical Review B, 92 (5), 2015, ISSN: 1098-0121, 1550-235X. Links | BibTeX @article{gabardi_microscopic_2015,
title = {Microscopic origin of resistance drift in the amorphous state of the phase-change compound GeTe},
author = {S Gabardi and S Caravati and G C Sosso and J Behler and M Bernasconi},
url = {https://link.aps.org/doi/10.1103/PhysRevB.92.054201},
doi = {10.1103/PhysRevB.92.054201},
issn = {1098-0121, 1550-235X},
year = {2015},
date = {2015-01-01},
urldate = {2018-04-16},
journal = {Physical Review B},
volume = {92},
number = {5},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Campi, Davide; Donadio, Davide; Sosso, Gabriele C; Behler, Jörg; Bernasconi, Marco Electron-phonon interaction and thermal boundary resistance at the crystal-amorphous interface of the phase change compound GeTe Journal Article Journal of Applied Physics, 117 (1), pp. 015304, 2015. BibTeX @article{campi2015electron,
title = {Electron-phonon interaction and thermal boundary resistance at the crystal-amorphous interface of the phase change compound GeTe},
author = {Davide Campi and Davide Donadio and Gabriele C Sosso and Jörg Behler and Marco Bernasconi},
year = {2015},
date = {2015-01-01},
journal = {Journal of Applied Physics},
volume = {117},
number = {1},
pages = {015304},
publisher = {AIP Publishing},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Sosso, Gabriele C; Salvalaglio, Matteo; Behler, Jörg; Bernasconi, Marco; Parrinello, Michele Heterogeneous crystallization of the phase change material GeTe via atomistic simulations Journal Article The Journal of Physical Chemistry C, 119 (11), pp. 6428–6434, 2015. BibTeX @article{sosso2015heterogeneous,
title = {Heterogeneous crystallization of the phase change material GeTe via atomistic simulations},
author = {Gabriele C Sosso and Matteo Salvalaglio and Jörg Behler and Marco Bernasconi and Michele Parrinello},
year = {2015},
date = {2015-01-01},
journal = {The Journal of Physical Chemistry C},
volume = {119},
number = {11},
pages = {6428--6434},
publisher = {American Chemical Society},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Caravati, Sebastiano; Sosso, Gabriele C; Bernasconi, Marco Functional Properties of Phase Change Materials from Atomistic Simulations Incollection Molecular Dynamics Simulations of Disordered Materials, pp. 415–440, Springer, 2015. BibTeX @incollection{caravati2015functional,
title = {Functional Properties of Phase Change Materials from Atomistic Simulations},
author = {Sebastiano Caravati and Gabriele C Sosso and Marco Bernasconi},
year = {2015},
date = {2015-01-01},
booktitle = {Molecular Dynamics Simulations of Disordered Materials},
pages = {415--440},
publisher = {Springer},
keywords = {},
pubstate = {published},
tppubtype = {incollection}
}
|
| Campi, D; Baldi, E; Graceffa, G; Sosso, GC; Bernasconi, M Electron--phonon interaction and thermal boundary resistance at the interfaces of Ge2Sb2Te5 with metals and dielectrics Journal Article Journal of Physics: Condensed Matter, 27 (17), pp. 175009, 2015. BibTeX @article{campi2015electronb,
title = {Electron--phonon interaction and thermal boundary resistance at the interfaces of Ge2Sb2Te5 with metals and dielectrics},
author = {D Campi and E Baldi and G Graceffa and GC Sosso and M Bernasconi},
year = {2015},
date = {2015-01-01},
journal = {Journal of Physics: Condensed Matter},
volume = {27},
number = {17},
pages = {175009},
publisher = {IOP Publishing},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Gabardi, S; Caravati, S; Sosso, GC; Behler, J; Bernasconi, M Microscopic origin of resistance drift in the amorphous state of the phase-change compound GeTe Journal Article Physical Review B, 92 (5), pp. 054201, 2015. BibTeX @article{gabardi2015microscopic,
title = {Microscopic origin of resistance drift in the amorphous state of the phase-change compound GeTe},
author = {S Gabardi and S Caravati and GC Sosso and J Behler and M Bernasconi},
year = {2015},
date = {2015-01-01},
journal = {Physical Review B},
volume = {92},
number = {5},
pages = {054201},
publisher = {American Physical Society},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Fitzner, Martin; Sosso, Gabriele C; Cox, Stephen J; Michaelides, Angelos The many faces of heterogeneous ice nucleation: Interplay between surface morphology and hydrophobicity Journal Article Journal of the American Chemical Society, 137 (42), pp. 13658–13669, 2015. BibTeX @article{fitzner2015many,
title = {The many faces of heterogeneous ice nucleation: Interplay between surface morphology and hydrophobicity},
author = {Martin Fitzner and Gabriele C Sosso and Stephen J Cox and Angelos Michaelides},
year = {2015},
date = {2015-01-01},
journal = {Journal of the American Chemical Society},
volume = {137},
number = {42},
pages = {13658--13669},
publisher = {American Chemical Society},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
2014
|
| Hassanali, Ali A; Giberti, Federico; Sosso, Gabriele C; Parrinello, Michele The role of the umbrella inversion mode in proton diffusion Journal Article Chemical Physics Letters, 599 , pp. 133–138, 2014, ISSN: 00092614. Links | BibTeX @article{hassanali_role_2014,
title = {The role of the umbrella inversion mode in proton diffusion},
author = {Ali A Hassanali and Federico Giberti and Gabriele C Sosso and Michele Parrinello},
url = {http://linkinghub.elsevier.com/retrieve/pii/S0009261414001857},
doi = {10.1016/j.cplett.2014.03.034},
issn = {00092614},
year = {2014},
date = {2014-04-01},
urldate = {2018-04-16},
journal = {Chemical Physics Letters},
volume = {599},
pages = {133--138},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Sosso, Gabriele C; Colombo, Jader; Behler, Jörg; Gado, Emanuela Del; Bernasconi, Marco Dynamical Heterogeneity in the Supercooled Liquid State of the Phase Change Material GeTe Journal Article The Journal of Physical Chemistry B, 118 (47), pp. 13621–13628, 2014, ISSN: 1520-6106, 1520-5207. Links | BibTeX @article{sosso_dynamical_2014,
title = {Dynamical Heterogeneity in the Supercooled Liquid State of the Phase Change Material GeTe},
author = {Gabriele C Sosso and Jader Colombo and Jörg Behler and Emanuela Del Gado and Marco Bernasconi},
url = {http://pubs.acs.org/doi/10.1021/jp507361f},
doi = {10.1021/jp507361f},
issn = {1520-6106, 1520-5207},
year = {2014},
date = {2014-01-01},
urldate = {2018-04-16},
journal = {The Journal of Physical Chemistry B},
volume = {118},
number = {47},
pages = {13621--13628},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Hassanali, Ali A; Giberti, Federico; Sosso, Gabriele C; Parrinello, Michele The role of the umbrella inversion mode in proton diffusion Journal Article Chemical Physics Letters, 599 , pp. 133–138, 2014. BibTeX @article{hassanali2014role,
title = {The role of the umbrella inversion mode in proton diffusion},
author = {Ali A Hassanali and Federico Giberti and Gabriele C Sosso and Michele Parrinello},
year = {2014},
date = {2014-01-01},
journal = {Chemical Physics Letters},
volume = {599},
pages = {133--138},
publisher = {North-Holland},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Sosso, Gabriele C; Colombo, Jader; Behler, Jörg; Gado, Emanuela Del; Bernasconi, Marco Dynamical heterogeneity in the supercooled liquid state of the phase change material gete Journal Article The Journal of Physical Chemistry B, 118 (47), pp. 13621–13628, 2014. BibTeX @article{sosso2014dynamical,
title = {Dynamical heterogeneity in the supercooled liquid state of the phase change material gete},
author = {Gabriele C Sosso and Jader Colombo and Jörg Behler and Emanuela Del Gado and Marco Bernasconi},
year = {2014},
date = {2014-01-01},
journal = {The Journal of Physical Chemistry B},
volume = {118},
number = {47},
pages = {13621--13628},
publisher = {American Chemical Society},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
2013
|
| Mazzarello, Riccardo; Sosso, Gabriele Cesare; Miceli, Giacomo; Caravati, Sebastiano; Donadio, Davide; Behler, Jörg; Bernasconi, Marco Nanosession: Phase Change Materials Incollection Frontiers in Electronic Materials, pp. 155–162, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany, 2013, ISBN: 978-3-527-66770-3 978-3-527-41191-7. Links | BibTeX @incollection{mazzarello_nanosession:_2013,
title = {Nanosession: Phase Change Materials},
author = {Riccardo Mazzarello and Gabriele Cesare Sosso and Giacomo Miceli and Sebastiano Caravati and Davide Donadio and Jörg Behler and Marco Bernasconi},
url = {http://doi.wiley.com/10.1002/9783527667703.ch37},
doi = {10.1002/9783527667703.ch37},
isbn = {978-3-527-66770-3 978-3-527-41191-7},
year = {2013},
date = {2013-04-01},
urldate = {2018-04-16},
booktitle = {Frontiers in Electronic Materials},
pages = {155--162},
publisher = {Wiley-VCH Verlag GmbH & Co. KGaA},
address = {Weinheim, Germany},
keywords = {},
pubstate = {published},
tppubtype = {incollection}
}
|
| Caravati, Sebastiano; Sosso, Gabriele C; Bernasconi, Marco; Parrinello, Michele Density functional simulations of hexagonal Ge2Sb2Te5 at high pressure Journal Article Physical Review B, 87 (9), 2013, ISSN: 1098-0121, 1550-235X. Links | BibTeX @article{caravati_density_2013,
title = {Density functional simulations of hexagonal Ge2Sb2Te5 at high pressure},
author = {Sebastiano Caravati and Gabriele C Sosso and Marco Bernasconi and Michele Parrinello},
url = {https://link.aps.org/doi/10.1103/PhysRevB.87.094117},
doi = {10.1103/PhysRevB.87.094117},
issn = {1098-0121, 1550-235X},
year = {2013},
date = {2013-03-01},
urldate = {2018-04-16},
journal = {Physical Review B},
volume = {87},
number = {9},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Sosso, Gabriele C; Miceli, Giacomo; Caravati, Sebastiano; Giberti, Federico; Behler, Jörg; Bernasconi, Marco Fast Crystallization of the Phase Change Compound GeTe by Large-Scale Molecular Dynamics Simulations Journal Article The Journal of Physical Chemistry Letters, 4 (24), pp. 4241–4246, 2013, ISSN: 1948-7185. Links | BibTeX @article{sosso_fast_2013,
title = {Fast Crystallization of the Phase Change Compound GeTe by Large-Scale Molecular Dynamics Simulations},
author = {Gabriele C Sosso and Giacomo Miceli and Sebastiano Caravati and Federico Giberti and Jörg Behler and Marco Bernasconi},
url = {http://pubs.acs.org/doi/10.1021/jz402268v},
doi = {10.1021/jz402268v},
issn = {1948-7185},
year = {2013},
date = {2013-01-01},
urldate = {2018-04-16},
journal = {The Journal of Physical Chemistry Letters},
volume = {4},
number = {24},
pages = {4241--4246},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Caravati, Sebastiano; Sosso, Gabriele C; Bernasconi, Marco; Parrinello, Michele Density functional simulations of hexagonal Ge 2 Sb 2 Te 5 at high pressure Journal Article Physical Review B, 87 (9), pp. 094117, 2013. BibTeX @article{caravati2013density,
title = {Density functional simulations of hexagonal Ge 2 Sb 2 Te 5 at high pressure},
author = {Sebastiano Caravati and Gabriele C Sosso and Marco Bernasconi and Michele Parrinello},
year = {2013},
date = {2013-01-01},
journal = {Physical Review B},
volume = {87},
number = {9},
pages = {094117},
publisher = {American Physical Society},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Sosso, Gabriele C; Miceli, Giacomo; Caravati, Sebastiano; Giberti, Federico; Behler, Jörg; Bernasconi, Marco Fast crystallization of the phase change compound GeTe by large-scale molecular dynamics simulations Journal Article The journal of physical chemistry letters, 4 (24), pp. 4241–4246, 2013. BibTeX @article{sosso2013fast,
title = {Fast crystallization of the phase change compound GeTe by large-scale molecular dynamics simulations},
author = {Gabriele C Sosso and Giacomo Miceli and Sebastiano Caravati and Federico Giberti and Jörg Behler and Marco Bernasconi},
year = {2013},
date = {2013-01-01},
journal = {The journal of physical chemistry letters},
volume = {4},
number = {24},
pages = {4241--4246},
publisher = {American Chemical Society},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
