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Page 1
Structure searching methods: general discussion.
Addicoat M, Adjiman CS, Arhangelskis M, Beran GJO, Brandenburg JG, Braun DE, Burger V, Burow A, Collins C, Cooper A, Day GM, Deringer VL, Dyer MS, Hare A, Jelfs KE, Keupp J, Konstantinopoulos S, Li Y, Ma Y, Marom N, McKay D, Mellot-Draznieks C, Mohamed S, Neumann M, Nilsson Lill S, Nyman J, Oganov AR, Price SL, Reutzel-Edens S, Ruggiero M, Sastre G, Schmid R, Schmidt J, Schön JC, Spackman P, Tsuzuki S, Woodley SM, Yang S, Zhu Q. Addicoat M, et al. Among authors: woodley sm. Faraday Discuss. 2018 Oct 26;211(0):133-180. doi: 10.1039/c8fd90030b. Faraday Discuss. 2018. PMID: 30307457 No abstract available.
Applications of crystal structure prediction - inorganic and network structures: general discussion.
Burger V, Claeyssens F, Davies DW, Day GM, Dyer MS, Hare A, Li Y, Mellot-Draznieks C, Mitchell JBO, Mohamed S, Oganov AR, Price SL, Ruggiero M, Ryder MR, Sastre G, Schön JC, Spackman P, Woodley SM, Zhu Q. Burger V, et al. Among authors: woodley sm. Faraday Discuss. 2018 Oct 26;211(0):613-642. doi: 10.1039/c8fd90034e. Faraday Discuss. 2018. PMID: 30298165 No abstract available.
Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion.
Addicoat M, Adjiman CS, Arhangelskis M, Beran GJO, Bowskill D, Brandenburg JG, Braun DE, Burger V, Cole J, Cruz-Cabeza AJ, Day GM, Deringer VL, Guo R, Hare A, Helfferich J, Hoja J, Iuzzolino L, Jobbins S, Marom N, McKay D, Mitchell JBO, Mohamed S, Neumann M, Nilsson Lill S, Nyman J, Oganov AR, Piaggi P, Price SL, Reutzel-Edens S, Rietveld I, Ruggiero M, Ryder MR, Sastre G, Schön JC, Taylor C, Tkatchenko A, Tsuzuki S, van den Ende J, Woodley SM, Woollam G, Zhu Q. Addicoat M, et al. Among authors: woodley sm. Faraday Discuss. 2018 Oct 26;211(0):325-381. doi: 10.1039/C8FD90031K. Faraday Discuss. 2018. PMID: 30302459 No abstract available.
Structure prediction of crystals, surfaces and nanoparticles.
Woodley SM, Day GM, Catlow R. Woodley SM, et al. Philos Trans A Math Phys Eng Sci. 2020 Dec 11;378(2186):20190600. doi: 10.1098/rsta.2019.0600. Epub 2020 Oct 26. Philos Trans A Math Phys Eng Sci. 2020. PMID: 33100162
Advances in computational studies of energy materials.
Catlow CR, Guo ZX, Miskufova M, Shevlin SA, Smith AG, Sokol AA, Walsh A, Wilson DJ, Woodley SM. Catlow CR, et al. Among authors: woodley sm. Philos Trans A Math Phys Eng Sci. 2010 Jul 28;368(1923):3379-456. doi: 10.1098/rsta.2010.0111. Philos Trans A Math Phys Eng Sci. 2010. PMID: 20566517 Review.
42 results