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

Matthew Addicoat; Claire S. Adjiman; Mihails Arhangelskis; Gregory J. O. Beran; David Bowskill; Jan Gerit Brandenburg; Doris E. Braun; Virginia Burger; Jason Cole; Aurora J. Cruz-Cabeza; Graeme M.  Day; Volker L. Deringer; Rui Guo; Alan Hare; Julian Helfferich; Johannes Hoja; Luca Iuzzolino; Samuel Jobbins; Noa Marom; David McKay; John Blayney Owen Mitchell; Sharmarke Mohamed; Marcus Neumann; Sten Nilsson Lill; Jonas Nyman; Artem R. Oganov; Pablo Piaggi; Sarah L. Price; Susan Reutzel-Edens; Ivo Rietveld; Michael Ruggiero; Matthew R. Ryder; German Sastre; J. Christian Schön; Christopher Taylor; Alexandre Tkatchenko; Seiji Tsuzuki; Joost van den Ende; Scott M. Woodley; Grahame Woollam; Qiang Zhu

doi:10.1039/C8FD90031K

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

Matthew Addicoat, Claire S. Adjiman, Mihails Arhangelskis, Gregory J. O. Beran, David Bowskill, Jan Gerit Brandenburg, Doris E. Braun, Virginia Burger, Jason Cole, Aurora J. Cruz-Cabeza, Graeme M. Day, Volker L. Deringer, Rui Guo, Alan Hare, Julian Helfferich, Johannes Hoja, Luca Iuzzolino, Samuel Jobbins, Noa Marom, David McKayJohn Blayney Owen Mitchell, Sharmarke Mohamed, Marcus Neumann, Sten Nilsson Lill, Jonas Nyman, Artem R. Oganov, Pablo Piaggi, Sarah L. Price, Susan Reutzel-Edens, Ivo Rietveld, Michael Ruggiero, Matthew R. Ryder, German Sastre, J. Christian Schön, Christopher Taylor, Alexandre Tkatchenko, Seiji Tsuzuki, Joost van den Ende, Scott M. Woodley, Grahame Woollam, Qiang Zhu

Research output: Contribution to journal › Comment/debate › peer-review

Original language	English
Pages (from-to)	325-381
Journal	Faraday Discussions
Volume	211
DOIs	https://doi.org/10.1039/C8FD90031K
Publication status	Published - 10 Oct 2018
Event	Methods and applications of cystal structure prediction Faraday Discussion - Cambridge, United Kingdom Duration: 11 Jul 2018 → 13 Jul 2018 http://www.rsc.org/events/detail/24508/methods-and-applications-of-crystal-structure-prediction-faraday-discussion

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10.1039/C8FD90031K

1 Comment/debate

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 journal › Comment/debate › peer-review

Cite this

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., ... Zhu, Q. (2018). Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion. Faraday Discussions, 211, 325-381. https://doi.org/10.1039/C8FD90031K

@article{5e85a678b5884c39945b0bc20468ff94,

title = "Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion",

author = "Matthew Addicoat and Adjiman, {Claire S.} and Mihails Arhangelskis and Beran, {Gregory J. O.} and David Bowskill and Brandenburg, {Jan Gerit} and Braun, {Doris E.} and Virginia Burger and Jason Cole and Cruz-Cabeza, {Aurora J.} and Day, {Graeme M.} and Deringer, {Volker L.} and Rui Guo and Alan Hare and Julian Helfferich and Johannes Hoja and Luca Iuzzolino and Samuel Jobbins and Noa Marom and David McKay and Mitchell, {John Blayney Owen} and Sharmarke Mohamed and Marcus Neumann and Lill, {Sten Nilsson} and Jonas Nyman and Oganov, {Artem R.} and Pablo Piaggi and Price, {Sarah L.} and Susan Reutzel-Edens and Ivo Rietveld and Michael Ruggiero and Ryder, {Matthew R.} and German Sastre and Sch{\"o}n, {J. Christian} and Christopher Taylor and Alexandre Tkatchenko and Seiji Tsuzuki and {van den Ende}, Joost and Woodley, {Scott M.} and Grahame Woollam and Qiang Zhu",

year = "2018",

month = oct,

day = "10",

doi = "10.1039/C8FD90031K",

language = "English",

volume = "211",

pages = "325--381",

journal = "Faraday Discussions",

issn = "1359-6640",

publisher = "Royal Society of Chemistry",

note = "Methods and applications of cystal structure prediction Faraday Discussion ; Conference date: 11-07-2018 Through 13-07-2018",

url = "http://www.rsc.org/events/detail/24508/methods-and-applications-of-crystal-structure-prediction-faraday-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, Lill, SN, 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 2018, 'Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion', Faraday Discussions, vol. 211, pp. 325-381. https://doi.org/10.1039/C8FD90031K

TY - JOUR

T1 - Crystal structure evaluation: calculating relative stabilities and other criteria

T2 - Methods and applications of cystal structure prediction Faraday Discussion

AU - Addicoat, Matthew

AU - Adjiman, Claire S.

AU - Arhangelskis, Mihails

AU - Beran, Gregory J. O.

AU - Bowskill, David

AU - Brandenburg, Jan Gerit

AU - Braun, Doris E.

AU - Burger, Virginia

AU - Cole, Jason

AU - Cruz-Cabeza, Aurora J.

AU - Day, Graeme M.

AU - Deringer, Volker L.

AU - Guo, Rui

AU - Hare, Alan

AU - Helfferich, Julian

AU - Hoja, Johannes

AU - Iuzzolino, Luca

AU - Jobbins, Samuel

AU - Marom, Noa

AU - McKay, David

AU - Mitchell, John Blayney Owen

AU - Mohamed, Sharmarke

AU - Neumann, Marcus

AU - Lill, Sten Nilsson

AU - Nyman, Jonas

AU - Oganov, Artem R.

AU - Piaggi, Pablo

AU - Price, Sarah L.

AU - Reutzel-Edens, Susan

AU - Rietveld, Ivo

AU - Ruggiero, Michael

AU - Ryder, Matthew R.

AU - Sastre, German

AU - Schön, J. Christian

AU - Taylor, Christopher

AU - Tkatchenko, Alexandre

AU - Tsuzuki, Seiji

AU - van den Ende, Joost

AU - Woodley, Scott M.

AU - Woollam, Grahame

AU - Zhu, Qiang

PY - 2018/10/10

Y1 - 2018/10/10

U2 - 10.1039/C8FD90031K

DO - 10.1039/C8FD90031K

M3 - Comment/debate

SN - 1359-6640

VL - 211

SP - 325

EP - 381

JO - Faraday Discussions

JF - Faraday Discussions

Y2 - 11 July 2018 through 13 July 2018

ER -

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

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Research output

Structure searching methods: general discussion

Cite this