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Research at St Andrews

Applications of crystal structure prediction – inorganic and network structures: general discussion

Research output: Contribution to journalComment/debate

  1. Methods and Applications of Crystal Structure Prediction

    John B. O. Mitchell (Participant)
    11 Jul 201813 Jul 2018

    Activity: Participating in or organising an event typesParticipation in or organising a conference

Related by author

  1. Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion

    Addicoat, M., Adjiman, C. S., Arhangelskis, M., Beran, G. J. O., Bowskill, D., Brandenburg, J. G., Braun, D. E., Burger, V., Cole, J., Cruz-Cabeza, A. J., Day, G. M., Deringer, V. L., Guo, R., Hare, A., Helfferich, J., Hoja, J., Iuzzolino, L., Jobbins, S., Marom, N., McKay, D. & 21 others, Mitchell, J. B. O., Mohamed, S., Neumann, M., Lill, S. N., Nyman, J., Oganov, A. R., Piaggi, P., Price, S. L., Reutzel-Edens, S., Rietveld, I., Ruggiero, M., Ryder, M. R., Sastre, G., Schön, J. C., Taylor, C., Tkatchenko, A., Tsuzuki, S., van den Ende, J., Woodley, S. M., Woollam, G. & Zhu, Q., 10 Oct 2018, In : Faraday Discussions. 211, p. 325-381

    Research output: Contribution to journalComment/debate

  2. Applications of crystal structure prediction – organic molecular structures: general discussion

    Adjiman, C., Brandenburg, J. G., Braun, D. E., Cole, J., Collins, C., Cooper, A. I., Cruz-Cabeza, A., Day, G., Dudek, M., Hare, A., Iuzzolino, L., McKay, D., Mitchell, J. B. O., Mohamed, S., Neelamraju, S., Neumann, M., Lill, S. N., Nyman, J., Oganov, A. R., Price, S. L. & 9 others, Pulido, A., Reutzel-Edens, S., Rietveld, I., Ruggiero, M. T., Schön, J. C., Tsuzuki, S., van den Ende, J., Woollam, G. & Zhu, Q., 4 Oct 2018, In : Faraday Discussions. 211, p. 493-539

    Research output: Contribution to journalComment/debate

  3. Artificial intelligence in pharmaceutical research and development

    Mitchell, J. B. O., Jul 2018, In : Future Medicinal Chemistry. 10, 13, p. 1529-1531 3 p.

    Research output: Contribution to journalEditorial

  4. Can human experts predict solubility better than computers?

    Boobier, S., Osbourn, A. & Mitchell, J. B. O., 13 Dec 2017, In : Journal of Cheminformatics. 9, 63

    Research output: Contribution to journalArticle

  5. Enzyme function and its evolution

    Mitchell, J. B. O., Dec 2017, In : Current Opinion in Structural Biology. 47, p. 151-156

    Research output: Contribution to journalReview article

Related by journal

  1. Applications of crystal structure prediction – organic molecular structures: general discussion

    Adjiman, C., Brandenburg, J. G., Braun, D. E., Cole, J., Collins, C., Cooper, A. I., Cruz-Cabeza, A., Day, G., Dudek, M., Hare, A., Iuzzolino, L., McKay, D., Mitchell, J. B. O., Mohamed, S., Neelamraju, S., Neumann, M., Lill, S. N., Nyman, J., Oganov, A. R., Price, S. L. & 9 others, Pulido, A., Reutzel-Edens, S., Rietveld, I., Ruggiero, M. T., Schön, J. C., Tsuzuki, S., van den Ende, J., Woollam, G. & Zhu, Q., 4 Oct 2018, In : Faraday Discussions. 211, p. 493-539

    Research output: Contribution to journalComment/debate

  2. Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion

    Addicoat, M., Adjiman, C. S., Arhangelskis, M., Beran, G. J. O., Bowskill, D., Brandenburg, J. G., Braun, D. E., Burger, V., Cole, J., Cruz-Cabeza, A. J., Day, G. M., Deringer, V. L., Guo, R., Hare, A., Helfferich, J., Hoja, J., Iuzzolino, L., Jobbins, S., Marom, N., McKay, D. & 21 others, Mitchell, J. B. O., Mohamed, S., Neumann, M., Lill, S. N., Nyman, J., Oganov, A. R., Piaggi, P., Price, S. L., Reutzel-Edens, S., Rietveld, I., Ruggiero, M., Ryder, M. R., Sastre, G., Schön, J. C., Taylor, C., Tkatchenko, A., Tsuzuki, S., van den Ende, J., Woodley, S. M., Woollam, G. & Zhu, Q., 10 Oct 2018, In : Faraday Discussions. 211, p. 325-381

    Research output: Contribution to journalComment/debate

  3. Structure searching methods: general discussion

    Addicoat, M., Adjiman, C. S., Arhangelskis, M., Beran, G. J. O., Brandenburg, J. G., Braun, D. E., Burger, V., Burow, A., Collins, C., Cooper, A., Day, G. M., Deringer, V. L., Dyer, M. S., Hare, A., Jelfs, K. E., Keupp, J., Konstantinopoulos, S., Li, Y., Ma, Y., Marom, N. & 19 others, McKay, D., Mellot-Draznieks, C., Mohamed, S., Neumann, M., Nilsson Lill, S., Nyman, J., Oganov, A. R., Price, S. L., Reutzel-Edens, S., Ruggiero, M., Sastre, G., Schmid, R., Schmidt, J., Schön, J. C., Spackman, P., Tsuzuki, S., Woodley, S. M., Yang, S. & Zhu, Q., 11 Oct 2018, In : Faraday Discussions. 211, p. 133-180 48 p.

    Research output: Contribution to journalComment/debate

  4. Sequential nested assembly at the liquid/solid interface

    Karamzadeh, B., Eaton, T., Muñoz Torres, D., Cebula, I., Mayor, M. & Buck, M., 1 Oct 2017, In : Faraday Discussions. 204, p. 173-190 18 p.

    Research output: Contribution to journalArticle

ID: 256417926

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