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Supercomputing modelling of advanced materials: preface.
Catlow CRA, De Leeuw NH, Michaelides A, Woodley SM. Catlow CRA, et al. Philos Trans A Math Phys Eng Sci. 2023 Jul 10;381(2250):20220252. doi: 10.1098/rsta.2022.0252. Epub 2023 May 22. Philos Trans A Math Phys Eng Sci. 2023. PMID: 37211036 Free PMC article. No abstract available.
Modelling nano-clusters and nucleation.
Catlow CR, Bromley ST, Hamad S, Mora-Fonz M, Sokol AA, Woodley SM. Catlow CR, et al. Phys Chem Chem Phys. 2010 Jan 28;12(4):786-811. doi: 10.1039/b916069h. Epub 2009 Dec 15. Phys Chem Chem Phys. 2010. PMID: 20066364
Where on Earth has our water come from?
de Leeuw NH, Catlow CR, King HE, Putnis A, Muralidharan K, Deymier P, Stimpfl M, Drake MJ. de Leeuw NH, et al. Chem Commun (Camb). 2010 Dec 21;46(47):8923-5. doi: 10.1039/c0cc02312d. Epub 2010 Oct 22. Chem Commun (Camb). 2010. PMID: 20967372
Band alignment of rutile and anatase TiO₂.
Scanlon DO, Dunnill CW, Buckeridge J, Shevlin SA, Logsdail AJ, Woodley SM, Catlow CR, Powell MJ, Palgrave RG, Parkin IP, Watson GW, Keal TW, Sherwood P, Walsh A, Sokol AA. Scanlon DO, et al. Nat Mater. 2013 Sep;12(9):798-801. doi: 10.1038/nmat3697. Epub 2013 Jul 7. Nat Mater. 2013. PMID: 23832124
207 results