Highlights
November 22, 2019
Enhancement of macromolecular ice recrystallization inhibition activity by exploiting depletion forces
Journal of Physics D: Applied Physics
Just accepted
Yet another exploit for the machine learning-based interatomic potential we have developed in 2012 for the phase change material GeTe. In this paper, we have computed the thermal conductivity of GeTe nanowires (a key component of a rather fancy device architecture for non-volatile memories) by means of large scale molecular dynamics simulations - only possible thanks to the power of neural networks (and a tad bit of physical intuition, I should add). Some interesting trends emerged… have a look at the paper online or grab a .pdf.
November 8, 2019
Less may be more: an informed reflection on molecular descriptors for drug design and discovery
Molecular Systems Design and Engineering
Just accepted
This is the very first paper from the SossoGroup! Harry, Steven and Trent have all worked on this during their Master's research project, making quite an effort during the last summer to finalise a contribution which will feature in the RSC Molecular Systems Design & Engineering themed collection: MSDE Emerging Investigators 2020. This is preliminary work aimed at probing the potential of specific descriptors to be leveraged in the context of drug design - with a materials science twist, obviously! Have a look at the paper online or grab a .pdf. Of one thing I am quite confident about: there will be more - stay tuned, folks!
November 1, 2019
Harnessing machine learning potentials to understand the functional properties of phase-change materials
MRS Bulletin
Published 05-09-19
At the very beginning of my PhD (2009, I believe?!) I developed a machine learning potential for the phase change material GeTe. Phase change materials for data storage are quite an essential ingredient of future memory devices - and little did I know at the time that such a potential would be at the heart of so many computational works (more than 15 as we speak) from then on. This paper has been conceived and written by myself and my PhD supervisor - a pivotal figure/influence in my academic career. It is thus with some satisfaction that I would encourage you to have a look at the paper online or grab a .pdf. You will find a hopefully balanced discussion of what machine learning can do for us in the field of phase change materials, with quite a few references to recent advances and a honest take on the limitations we will have to face in the near future.
November 1, 2019
Enhancement of macromolecular ice recrystallization inhibition activity by exploiting depletion forces
ACS Macro Letters
Published 09-08-19
DOI: 10.1021/acsmacrolett.9b00386
In case you didn't know, we are lucky enough to have in Warwick a world-leading experimentalist working on ice: Prof. Matt Gibson, who has been looking for a while into the foggy business of ice re-crystallization inhibition, that is the impact of specific chemicals in controlling the growth of ice crystals in the context of e.g. cryopreservation protocols. This paper is about the impact of depletion forces - and as a StatMech person, this was too good an opportunity to jump on board. As such, you'll find a qualitative (pen & paper only!) discussion of said depletion effects providing further support to a very solid set of experimental results, which are very much suggestive of the sheer importance of the aggregation of ice re-crystallization inhibition agents. Have a look at the paper online, or grab a .pdf. This is the very first work featuring a collaboration between the Gibson group and the Sosso Group… stay tuned, I am positive there will be many more to come!
January 31, 2019
Promoting transparency and reproducibility in enhanced molecular simulations
Nature Methods
Just accepted
DOI: 10.1038/s41592-019-0506-8
Alright, hold your horses. My contribution to this ginormous (the words you learn from your kids...) effort is tiny - but it's there! In a nutshell, the amazing people at the very core of the continuous, painstaking, never-ending development and expansion of the PLUMED software, have righteously decided to "outline [their] efforts to promote transparency and reproducibility by disseminating protocols for enhanced-sampling molecular simulations". Via PLUMED, obviously. What's that I hear (very few of you) ask - well, PLUMED is "an open-source library for enhanced-sampling, free-energy calculations and the analysis of molecular dynamics simulations". Check it out here. Now, all this is good - in fact, exceptionally good. First of all, because the unsung heroes at the heart of this PLUMED endeavour are excellent scientists. Massimiliano Bonomi, Giovanni Bussi, Carlo Camilloni, Gareth Tribello - it doesn't get much better than the stuff these guys do, and I mean it. As an example, it is because of Gareth that much of my ice-related research has come to life. You can have some decent ideas, but then you also need some code capable to deal with some rather cumbersome science - PLUMED can do that for you. It interfaces with basically everything under the sun, and can compute almost everything you can think about - if not, ask the community: it really works! Ok, enough with the violins. Have a look at the paper online, or grab a .pdf. Most importantly, get a sense of what can be done with PLUMED by navigating through the plethora of working examples (most of them related to published works) contained in the PLUMED-NEST. Happy enhanced sampling!
December 21, 2018
High and low density patches in simulated liquid water
The Journal of Chemical Physics
Just accepted
Time ago we looked at density fluctuations in liquid water, particularly the formation of cavities within the molecular network. Why? Because those are related to the cavitation free energy, which in turn is quite important when talking solvation and hydrophobic interactions. Here, we have taken a step further, identifying low- and high- density “patches” of water: yep – it turns out these cavities are not just randomly distributed throughout the liquid… there is more to come, I promise, but for now, have a look at the manuscript online – or just grab a pdf!
December 21, 2018
Priming Effects in the Crystallization of the Phase Change Compound GeTe from Atomistic Simulations
Faraday Discussions
Just accepted
My first paper about the crystallization of GeTe dates back to 2013. Aside for making me feel a bit old, I guess it is quite intriguing to realize that – some 5 years later – we still haven’t got the whole picture. No shame in that, though – we just have to acknowledge that these phase change materials have really quite a lot to tell/teach us. In this work, we discuss “priming” effects, i.e. what happens to the crystallization kinetics if you treat your parent phase beforehand. Mind you, this is no theoretical excercise… well, it – is – but is also quite key a thing for the actual devices. Have a look at the manuscript online – or just grab a pdf!
August 29, 2018
Unravelling the Origins of Ice Nucleation on Organic Crystals
Chemical Science
Just accepted
I am really quite proud of this paper. For one thing, it marks my transition from studying ice forming on inorganic materials to exploring the formation of ice in soft and biological matter. Secondly, this work is the result of a combined effort of molecular simulations and state-of-the-art experimental techniques – a contribution for which we have to thank T. Whale, M. Holden and B. Murray, all based at the University of Leeds. Experiments & Simulations together are still fairly rare a sight when it comes to ice – but things are changing, and it feels good to be a part of the tide. While contemplating the exciting possibilities in terms of future work that may be originating from this collaboration, have a look at the manuscript online – or just grab a .pdf!
June 28, 2018
Heterogeneous seeded molecular dynamics as a tool to probe the ice nucleating ability of crystalline surfaces
The Journal of Chemical Physics
Just accepted
When it comes to enhanced sampling simulations of rare event, one usually choose something along the lines of either free energy or path sampling techniques. Unfortunately, these are computationally costly. Seeded molecular dynamics is a much less demanding alternative that has been successfully applied already to study the homogeneous freezing of water. However, in the case of heterogeneous ice nucleation, nature’s favourite route to form ice, an array of suitable interfaces between the ice seeds and the substrate of interest has to be built, and this is no trivial task. In this paper, we present a Heterogeneous SEEDing (HSEED) approach which harnesses a random structure search framework to tackle the ice-substrate challenge, thus enabling seeded molecular dynamics simulations of heterogeneous ice nucleation on crystalline surfaces. Here's the online version, but you are welcome to just grab a .pdf as well.
March 14, 2018
Understanding the thermal properties of amorphous solids using machine-learning-based interatomic potentials
Molecular Simulation
Just accepted
DOI: 10.1080/08927022.2018.1447107
There is no point in petending otherwise: “Machine Learning” is so much hyped it’s just not true. However, it turns out these clever (?) algorithms can help us with a number of things. For instance, building interatomic potentials for complex systems (for which electronic structure calculations would cost too much) enabling large scale molecular dynamics simulations. To what end? Many. In here, we focus on what can be done with respect to the thermal properties of amorphous systems. If it sounds cumbersome, think about your window glasses basking in the sun – and there’s more, I promise...
Full Publications List
2020 |
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Bosoni, E; Campi, D; Donadio, D; Sosso, G C; Behler, J; Bernasconi, M Atomistic simulations of thermal conductivity in GeTe nanowires Journal Article Journal of Physics D: Applied Physics, 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 |
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Sosso, GC; Bernasconi, M Harnessing machine learning potentials to understand the functional properties of phase-change materials Journal Article MRS Bulletin, 44 (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 ACS Macro Letters, 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 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 Nature Methods, 16 (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} } 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 |
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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. @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. @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. @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. @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. @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 |
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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. @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. @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. @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. @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. @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. @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. @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. @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. @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. @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. @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. @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. @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 |
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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. @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. @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. @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. @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. @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. @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. @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. @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. @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 |
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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. @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. @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. @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. @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. @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. @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. @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. @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. @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. @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. @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. @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 |
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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. @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. @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. @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. @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 |
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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. @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. @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} } |