DImEnsION @ Warwick focuses onMolecular Simulations of Disordered Systems and Phase Transitions.

@article{Blow2023Ammonium,

title = {Understanding the impact of ammonium ion substitions on heterogeneous ice nucleation},

author = {KE Blow and TF Whale and D Quigley and GC Sosso},

url = {https://sossogroup.uk/wp-content/uploads/2023/07/Blow2023Ammonium.pdf},

doi = {10.1039/D3FD00097D},

year  = {2023},

date = {2023-09-26},

urldate = {2023-09-26},

journal = {Faraday Discussions},

keywords = {},

pubstate = {forthcoming},

tppubtype = {article}

}

@article{Barnard2023Stability,

title = {Combining machine learning and molecular simulations to predict the stability of amorphous drugs},

author = {T Barnard and GC Sosso},

url = {https://sossogroup.uk/wp-content/uploads/2023/09/Barnard2023Stability.pdf},

doi = {10.1063/5.0156222},

year  = {2023},

date = {2023-06-08},

journal = {The Journal of Chemical Physics},

volume = {159},

number = {1},

pages = {014503},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Blow2023Interplayb,

title = {Interplay of multiple clusters and initial interface positioning for forward flux sampling simulations of crystal nucleation},

author = {KE Blow and GA Tribello and GC Sosso and D Quigley},

url = {https://sossogroup.uk/wp-content/uploads/2023/06/Blow2023FFSInterfaces.pdf},

doi = {10.1063/5.0152343},

year  = {2023},

date = {2023-06-01},

journal = {The Journal of Chemical Physics},

volume = {158},

number = {22},

pages = {224102},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Fkhoury2023ProteinFolding,

title = {Generating protein folding trajectories using contact-map-driven directed walks},

author = {Z Fakhoury and GC Sosso and S Habershon},

url = {https://sossogroup.uk/wp-content/uploads/2023/04/Fakhoury2023ProteinFolding.pdf},

doi = {10.1021/acs.jcim.3c00023},

year  = {2023},

date = {2023-04-03},

urldate = {2023-04-03},

journal = {Journal of Chemical Information and Modeling},

volume = {63},

number = {7},

pages = {2181--2195},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Gonzalez-Jimenez2023Boson,

title = {Understanding the emergence of the boson peak in molecular glasses},

author = {M González-Jiménez and T Barnard and BA Russell and NV Tukachev and U Javornik and L-A Hayes and AJ Farrell and S Guinane and HM Senn and AJ Smith and M Wilding and G Mali and M Nakano and Y Miyazaki and P McMillan and GC Sosso and K Wynne},

url = {https://sossogroup.uk/wp-content/uploads/2023/01/Gonzalez-Jimenez2023Boson.pdf},

doi = {10.1038/s41467-023-35878-6},

year  = {2023},

date = {2023-01-13},

urldate = {2023-01-13},

journal = {Nature Communications},

volume = {14},

number = {1},

pages = {1--11},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Barnard2022GAPredictive,

title = {Leveraging genetic algorithms to maximise the predictive capabilities of the SOAP descriptor},

author = {T Barnard and S Tseng and JP Darby and AP Bartók and A Broo and GC Sosso},

url = {https://sossogroup.uk/wp-content/uploads/2022/11/Barnard2022GAPredictive.pdf},

doi = {10.1039/d2me00149g},

year  = {2022},

date = {2022-11-03},

urldate = {2022-11-23},

journal = {Molecular Systems Design & Engineering},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Warren2022Minimalisticb,

title = {Minimalistic ice recrystallisation inhibitors based on phenylalanine},

author = {MT Warren and I Galpin and M Hasan and SA Hindmarsh and JD Padrnos and C Edwards-Gayle and RT Mathers and DJ Adams and GC Sosso and MI Gibson },

url = {https://sossogroup.uk/wp-content/uploads/2022/06/Warren2022Minimalistic.pdf},

doi = {10.1039/D2CC02531K},

year  = {2022},

date = {2022-08-20},

urldate = {2022-08-20},

journal = {Chemical Communications},

volume = {58},

number = {55},

pages = {7658--7661},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Sosso2022Structural,

title = {The role of structural order in heterogeneous ice nucleation},

author = {GC Sosso and Sudera P and AT Backes and TF Whale and J Fröhlich-Nowoisky and M Bonn and A Michaelides and EHG Backus},

url = {https://sossogroup.uk/wp-content/uploads/2022/04/StructuralOrderIceNucleation.pdf},

doi = {10.1039/D1SC06338C},

year  = {2022},

date = {2022-04-08},

journal = {Chemical Science},

volume = {13},

issue = {17},

pages = {5014-5026},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Warren22IRI,

title = {Ice recrystallization inhibition by amino acids: the curious case of alpha- and beta-alanine},

author = {MT Warren and I Galpin and F Bachtiger and MI Gibson and GC Sosso},

url = {https://sossogroup.uk/wp-content/uploads/2022/03/IRIbyAminoAcidsWarren.pdf},

doi = {10.1021/acs.jpclett.1c04080},

year  = {2022},

date = {2022-03-03},

journal = {The Journal of Physical Chemistry Letters},

volume = {13},

number = {9},

pages = {2237-2244},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Miles22Lipid,

title = {Lipid bilayers as potential ice nucleating agents},

author = {CM Miles and P-C Hsu and AM Dixon and S Khalid and GC Sosso},

url = {https://sossogroup.uk/wp-content/uploads/2022/03/lipid_bilayers_as_potential_ice_nucleating_agents.pdf},

doi = {10.1039/D1CP05465A},

year  = {2022},

date = {2022-03-01},

urldate = {2022-03-01},

journal = {Physical Chemistry Chemical Physics},

volume = {24},

issue = {11},

pages = {6476-6491},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Gasparotto22Interfaces,

title = {How do interfaces alter the dynamics of supercooled water?},

author = {P Gasparotto and M Fitzner and SJ Cox and GC Sosso and A Michaelides},

url = {https://sossogroup.uk/wp-content/uploads/2022/03/HowdoInterfactesAlterDynamicsofSupercooledWater.pdf},

doi = {10.1039/D2NR00387B},

year  = {2022},

date = {2022-02-28},

journal = {Nanoscale},

volume = {14},

issue = {11},

pages = {4254-4262},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Herlihy21Recovering,

title = {Recovering local structure information from high-pressure total scattering experiments},

author = {A Herlihy and HS Geddes and GC Sosso and CL Bull and CK Ridley and AL Goodwin and MS Senn and NP Funnell},

url = {https://sossogroup.uk/wp-content/uploads/2021/12/kc5131.pdf},

doi = {10.1107/S1600576721009420},

year  = {2021},

date = {2021-09-09},

urldate = {2021-09-09},

journal = {Journal of Applied Crystallography},

volume = {54},

number = {6},

pages = {1546-1554},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Blow2021Nucleation,

title = {The seven deadly sins: When computing crystal nucleation rates, the devil is in the details},

author = {KE Blow and D Quigley and GC Sosso },

url = {https://sossogroup.uk/wp-content/uploads/2021/07/Blow2021Nucelation.pdf},

doi = {10.1063/5.0055248},

year  = {2021},

date = {2021-07-22},

journal = {The Journal of Chemical Physics},

volume = {155},

number = {4},

pages = {040901},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Stevens2021Minimalistic,

title = {A minimalistic cyclic ice-binding peptide from phage display},

author = {CA Stevens and F Bachtiger and X-D Kong and LA Abriata and GC Sosso and MI Gibson and H-A Klok},

url = {https://sossogroup.uk/wp-content/uploads/2021/05/s41467-021-22883-w.pdf},

doi = {0.1038/s41467-021-22883-w},

year  = {2021},

date = {2021-05-11},

journal = {Nature Communications},

volume = {12},

pages = {2675},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Wang2021Kinetics,

title = {Microscopic Kinetics Pathway of Salt Crystallization in Graphene Nanocapillaries},

author = {L Wang and J Chen and SJ Cox and L Liu and GC Sosso and N Li and P Gao and A Michaelides and E Wang and X Bai},

url = {https://sossogroup.uk/wp-content/uploads/2021/05/PhysRevLett.126.136001.pdf},

doi = {10.1103/PhysRevLett.126.136001},

year  = {2021},

date = {2021-03-29},

journal = {Physical Review Letters},

volume = {126},

number = {13},

pages = {136001},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Mistry2021Modelling,

title = {Modelling the interactions and diffusion of NO in amorphous SiO2},

author = {MV Mistry and J Cottom and K Patel and AL Shluger and GC Sosso and G Pobegen},

url = {https://sossogroup.uk/wp-content/uploads/2021/01/NO_in_amorphous_SiO2.pdf},

doi = {10.1088/1361-651X/abdc69},

year  = {2021},

date = {2021-03-11},

journal = {Modelling and Simulation in Materials Science and Engineering},

volume = {29},

number = {3},

pages = {035008},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Bachtiger2021PVA,

title = {The atomistic details of the ice recrystallisation inhibition activity of PVA.},

author = {F Bachtiger and TR Congdon and C Stubbs and MI Gibson and GC Sosso},

url = {https://sossogroup.uk/wp-content/uploads/2021/03/AtomisticPVASosso.pdf},

doi = {0.1038/s41467-021-21717-z},

year  = {2021},

date = {2021-02-26},

journal = {Nature Communications},

volume = {12},

number = {1323},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Lawrence2020Combining,

title = {Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding},

author = {J Lawrence and GC Sosso and L Đorđević and H Pinfold and D Bonifazi and G Constantini},

url = {https://sossogroup.uk/wp-content/uploads/2020/05/STM_Halogen.pdf},

doi = {10.1038/s41467-020-15898-2},

year  = {2020},

date = {2020-04-30},

journal = {Nature Communications},

volume = {11},

pages = {2103},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Ansari2020Insights,

title = {Insights into the Emerging Networks of Voids in Simulated Supercooled Water},

author = {N Ansari and B Onat and GC Sosso and A Hassanali},

url = {https://sossogroup.uk/wp-content/uploads/2020/03/acs.jpcb_.9b10144.pdf},

doi = {10.1021/acs.jpcb.9b10144},

year  = {2020},

date = {2020-02-07},

journal = {The Journal of Physical Chemistry B},

volume = {124},

number = {11},

pages = {2180-2190},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{DrugDesign2020Barnard,

title = {Less may be more: an informed reflection on molecular descriptors for drug design and discovery},

author = {T Barnard and H Hagan and S Tseng and GC Sosso},

url = {https://sossogroup.uk/wp-content/uploads/2019/11/MolecularDescriptorsDrugDesignDiscovery.pdf},

doi = {10.1039/C9ME00109C},

year  = {2020},

date = {2020-01-12},

journal = {Molecular Systems Design and Engineering},

volume = {5},

pages = {317-329},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@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}

}