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The Many Faces of Heterogeneous Ice Nucleation: Interplay Between Surface Morphology and Hydrophobicity.
Fitzner M, Sosso GC, Cox SJ, Michaelides A. Fitzner M, et al. Among authors: cox sj. J Am Chem Soc. 2015 Oct 28;137(42):13658-69. doi: 10.1021/jacs.5b08748. Epub 2015 Oct 15. J Am Chem Soc. 2015. PMID: 26434775
Non-hexagonal ice at hexagonal surfaces: the role of lattice mismatch.
Cox SJ, Kathmann SM, Purton JA, Gillan MJ, Michaelides A. Cox SJ, et al. Phys Chem Chem Phys. 2012 Jun 14;14(22):7944-9. doi: 10.1039/c2cp23438f. Epub 2012 May 3. Phys Chem Chem Phys. 2012. PMID: 22555609
Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo.
Cox SJ, Towler MD, Alfè D, Michaelides A. Cox SJ, et al. J Chem Phys. 2014 May 7;140(17):174703. doi: 10.1063/1.4871873. J Chem Phys. 2014. PMID: 24811651
Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity.
Cox SJ, Kathmann SM, Slater B, Michaelides A. Cox SJ, et al. J Chem Phys. 2015 May 14;142(18):184704. doi: 10.1063/1.4919714. J Chem Phys. 2015. PMID: 25978902
Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers.
Cox SJ, Kathmann SM, Slater B, Michaelides A. Cox SJ, et al. J Chem Phys. 2015 May 14;142(18):184705. doi: 10.1063/1.4919715. J Chem Phys. 2015. PMID: 25978903
Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations.
Sosso GC, Chen J, Cox SJ, Fitzner M, Pedevilla P, Zen A, Michaelides A. Sosso GC, et al. Among authors: cox sj. Chem Rev. 2016 Jun 22;116(12):7078-116. doi: 10.1021/acs.chemrev.5b00744. Epub 2016 May 26. Chem Rev. 2016. PMID: 27228560 Free PMC article.
Can Ice-Like Structures Form on Non-Ice-Like Substrates? The Example of the K-feldspar Microcline.
Pedevilla P, Cox SJ, Slater B, Michaelides A. Pedevilla P, et al. Among authors: cox sj. J Phys Chem C Nanomater Interfaces. 2016 Mar 31;120(12):6704-6713. doi: 10.1021/acs.jpcc.6b01155. Epub 2016 Mar 8. J Phys Chem C Nanomater Interfaces. 2016. PMID: 27917255 Free PMC article.
Toward Accurate Adsorption Energetics on Clay Surfaces.
Zen A, Roch LM, Cox SJ, Hu XL, Sorella S, Alfè D, Michaelides A. Zen A, et al. Among authors: cox sj. J Phys Chem C Nanomater Interfaces. 2016 Nov 23;120(46):26402-26413. doi: 10.1021/acs.jpcc.6b09559. Epub 2016 Oct 31. J Phys Chem C Nanomater Interfaces. 2016. PMID: 27917256 Free PMC article.
Active sites in heterogeneous ice nucleation-the example of K-rich feldspars.
Kiselev A, Bachmann F, Pedevilla P, Cox SJ, Michaelides A, Gerthsen D, Leisner T. Kiselev A, et al. Among authors: cox sj. Science. 2017 Jan 27;355(6323):367-371. doi: 10.1126/science.aai8034. Epub 2016 Dec 8. Science. 2017. PMID: 27940582
Formation of Methane Hydrate in the Presence of Natural and Synthetic Nanoparticles.
Cox SJ, Taylor DJF, Youngs TGA, Soper AK, Totton TS, Chapman RG, Arjmandi M, Hodges MG, Skipper NT, Michaelides A. Cox SJ, et al. J Am Chem Soc. 2018 Mar 7;140(9):3277-3284. doi: 10.1021/jacs.7b12050. Epub 2018 Feb 23. J Am Chem Soc. 2018. PMID: 29401390 Free PMC article.
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