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Page 1
Discovering trends in big data: general discussion.
Albornoz RV, Antypov D, Blanke G, Borges I Jr, Marulanda Bran A, Cheung J, Collins CM, David N, Day GM, Deringer VL, Draxl C, Eardley-Brunt A, Evans ML, Fairlamb I, Fieseler K, Franklin BA, George J, Grundy J, Johal J, Kalikadien AV, Kapil V, Kotopanov L, Kumar V, Kuttner C, Lederbauer M, Ojeda-Porras AC, Pang J, Parkes M, Pemberton M, Ruscic B, Ryder MR, Sakaushi K, Saleh G, Savoie BM, Schwaller P, Skjelstad BB, Sun W, Taniguchi T, Taylor CR, Torrisi S, Vishnoi S, Walsh A, Wu R. Albornoz RV, et al. Among authors: ryder mr. Faraday Discuss. 2024 Dec 18. doi: 10.1039/d4fd90063d. Online ahead of print. Faraday Discuss. 2024. PMID: 39692143 No abstract available.
Discovering chemical structure: general discussion.
Aspuru-Guzik A, Bechtel T, Bernales V, Biggin PC, Bigi F, Borges I Jr, Briling KR, Cheung J, Collins CM, Darmawan KK, David N, Day GM, Deringer VL, Draxl C, Dyer M, Eardley-Brunt A, Evans R, Fairlamb I, Franklin BA, George J, Goulding M, Grundy J, Hafizi R, Hakkennes M, Hickey N, James G, Juraskova V, Kalikadien AV, Kapil V, Kulik HJ, Kumar V, Kuttner C, Lederbauer M, Lou Y, Mante E, Marsh L, Martin J, Middleton C, Nematiaram T, Pare CWP, Pasca B, Pickard CJ, Ruscic B, Ryder MR, Savoie BM, Sun W, Szczypiński FT, Taniguchi T, Torrisi S, Vishnoi S, Walsh A, Wang S. Aspuru-Guzik A, et al. Among authors: ryder mr. Faraday Discuss. 2024 Dec 12. doi: 10.1039/d4fd90061h. Online ahead of print. Faraday Discuss. 2024. PMID: 39665275 No abstract available.
Discovering structure-property correlations: general discussion.
Anker AS, Aspuru-Guzik A, Ben Mahmoud C, Bennett S, Briling KR, Changiarath A, Chong S, Collins CM, Cooper AI, Crusius D, Darmawan KK, Das B, David N, Day GM, Deringer VL, Duarte F, Eardley-Brunt A, Evans ML, Evans R, Fairlamb I, Franklin BA, Frey J, Ganose AM, Goulding M, Hafizi R, Hakkennes M, Hickey N, James G, Jelfs KE, Kalikadien AV, Kapil V, Koczor-Benda Z, Krammer F, Kulik HJ, Kumar V, Kuttner C, Lam E, Lou Y, Mante E, Martin J, Mroz AM, Nematiaram T, Pare CWP, Patra S, Proudfoot J, Ruscic B, Ryder MR, Sakaushi K, Saßmannshausen J, Savoie BM, Schneider N, Schwaller P, Skjelstad BB, Sun W, Szczypiński FT, Torrisi S, Ueltzen K, Vishnoi S, Walsh A, Wang X, Wilson C, Wu R, Zeitler J. Anker AS, et al. Among authors: ryder mr. Faraday Discuss. 2024 Dec 13. doi: 10.1039/d4fd90062f. Online ahead of print. Faraday Discuss. 2024. PMID: 39670482 No abstract available.
Discovering synthesis targets: general discussion.
Anker AS, Aspuru-Guzik A, Bechtel T, Bigi F, Briling KR, Das B, David N, Day GM, Deringer VL, Dyer M, Eardley-Brunt A, Evans ML, Evans R, Franklin BA, Ganose AM, George J, Goulding M, Hickey N, James G, Kalikadien AV, Kapil V, Kulik HJ, Kumar V, Kuttner C, Lam E, Lederbauer M, Lou Y, Martin J, Marulanda Bran A, Mathea M, Pickard CJ, Ruscic B, Ryder MR, Sabanza Gil V, Schwaller P, Segler MHS, Sun W, Tanovic S, Treyde W, Walsh A, Wu R. Anker AS, et al. Among authors: ryder mr. Faraday Discuss. 2024 Dec 18. doi: 10.1039/d4fd90064b. Online ahead of print. Faraday Discuss. 2024. PMID: 39692150 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: ryder mr. Faraday Discuss. 2018 Oct 26;211(0):325-381. doi: 10.1039/C8FD90031K. Faraday Discuss. 2018. PMID: 30302459 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: ryder mr. Faraday Discuss. 2018 Oct 26;211(0):613-642. doi: 10.1039/c8fd90034e. Faraday Discuss. 2018. PMID: 30298165 No abstract available.
Catalysis in MOFs: general discussion.
Carraro F, Chapman K, Chen Z, Dincă M, Easun T, Eddaoudi M, Farha O, Forgan R, Gagliardi L, Haase F, Harris D, Kitagawa S, Knichal J, Lamberti C, Lee JM, Leus K, Li J, Lin W, Lloyd G, Long JR, Lu C, Ma S, McHugh L, Perez JPH, Ranocchiari M, Rosi N, Rosseinsky M, Ryder MR, Ting V, van der Veen M, Van Der Voort P, Volkmer D, Walsh A, Woods D, Yaghi OM. Carraro F, et al. Among authors: ryder mr. Faraday Discuss. 2017 Sep 1;201:369-394. doi: 10.1039/c7fd90046e. Epub 2017 Aug 23. Faraday Discuss. 2017. PMID: 28832064 No abstract available.
Towards complex systems and devices: general discussion.
Baretta R, Brammer L, Burrows AD, Farrusseng D, Horike S, Jiang J, Kato M, Kitagawa S, Krause S, Lee JM, Legrand A, Matsuda R, Morris A, Phillips AE, Ryder MR, Shivanna M, Sirbu D, Taddei M, Terry L, Wilson B, Yanai N. Baretta R, et al. Among authors: ryder mr. Faraday Discuss. 2021 Feb 4;225(0):431-441. doi: 10.1039/d0fd90036b. Faraday Discuss. 2021. PMID: 33480961 No abstract available.
Novel computational tools: general discussion.
Bennett TD, Brammer L, Coudert FX, Evans JD, Fischer M, Goodwin AL, Jiang J, Kaskel S, Kitagawa S, Krause S, Lee JM, Matsuda R, Rogge SMJ, Ryder MR, Schmid R, Tarzia A, van der Veen MA, Van Speybroeck V. Bennett TD, et al. Among authors: ryder mr. Faraday Discuss. 2021 Feb 4;225(0):341-357. doi: 10.1039/d0fd90034f. Faraday Discuss. 2021. PMID: 33480948 No abstract available.
Challenges for large scale simulation: general discussion.
Brandenburg JG, Burke K, Civalleri B, Cole DJ, Csányi G, David G, Gidopoulos NI, Gowland D, Helgaker T, Herbst MF, Hourahine B, Irons TJP, Jacob CR, Loos PF, Mehta N, Mulay MR, Neugebauer J, Pernal K, Pribram-Jones A, Romaniello P, Ryder MR, Savin A, Sirbu D, Skylaris CK, Truhlar DG, Wetherell J, Yang W. Brandenburg JG, et al. Among authors: ryder mr. Faraday Discuss. 2020 Dec 4;224(0):309-332. doi: 10.1039/D0FD90024A. Faraday Discuss. 2020. PMID: 33227116 No abstract available.
40 results