G
Graeme M. Day
Researcher at University of Southampton
Publications - 153
Citations - 11419
Graeme M. Day is an academic researcher from University of Southampton. The author has contributed to research in topics: Crystal structure prediction & Crystal structure. The author has an hindex of 57, co-authored 143 publications receiving 9921 citations. Previous affiliations of Graeme M. Day include University of Cambridge & Georgia Institute of Technology.
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Journal ArticleDOI
A Cocrystal Strategy to Tune the Luminescent Properties of Stilbene-Type Organic Solid-State Materials
Dongpeng Yan,Amit Delori,Gareth O. Lloyd,Tomislav Friščić,Graeme M. Day,William Jones,Jun Lu,Min Wei,David G. Evans,Xue Duan +9 more
TL;DR: The one- and two-photon luminescence of stilbene-type solid-state materials can be tuned and controlled from blue to yellow color by a supramolecular cocrystal method.
Journal ArticleDOI
Improving Mechanical Properties of Crystalline Solids by Cocrystal Formation: New Compressible Forms of Paracetamol
TL;DR: In this article, the mechanical properties of paracetamol tablets were improved through the strategy of cocrystal formation by liquid-assisted grinding, which can be related to structural features before all the formation of hydrogen-bonded layers.
Journal ArticleDOI
Report on the sixth blind test of organic crystal-structure prediction methods
Anthony M. Reilly,Richard I. Cooper,Claire S. Adjiman,Saswata Bhattacharya,A. Daniel Boese,Jan Gerit Brandenburg,Peter J. Bygrave,Rita Bylsma,J.E. Campbell,Roberto Car,David H. Case,Renu Chadha,Jason C. Cole,Katherine Cosburn,Katherine Cosburn,Herma M. Cuppen,Farren Curtis,Farren Curtis,Graeme M. Day,Robert A. DiStasio,Robert A. DiStasio,Alexander Dzyabchenko,Bouke P. van Eijck,Dennis M. Elking,Joost A. van den Ende,Julio C. Facelli,Marta B. Ferraro,Laszlo Fusti-Molnar,Christina-Anna Gatsiou,Thomas S. Gee,René de Gelder,Luca M. Ghiringhelli,Hitoshi Goto,Stefan Grimme,Rui Guo,D. W. M. Hofmann,Johannes Hoja,Rebecca K. Hylton,Luca Iuzzolino,Wojciech Jankiewicz,Daniël T. de Jong,John Kendrick,Niek J. J. de Klerk,Hsin-Yu Ko,L. N. Kuleshova,Xiayue Li,Xiayue Li,Sanjaya Lohani,Frank J. J. Leusen,Albert M. Lund,Albert M. Lund,Jian Lv,Yanming Ma,Noa Marom,Noa Marom,Artëm E. Masunov,Patrick McCabe,David P. McMahon,Hugo Meekes,Michael P. Metz,Alston J. Misquitta,Sharmarke Mohamed,Bartomeu Monserrat,Richard J. Needs,Marcus A. Neumann,Jonas Nyman,Shigeaki Obata,Harald Oberhofer,Artem R. Oganov,Anita M. Orendt,Gabriel Ignacio Pagola,Constantinos C. Pantelides,Chris J. Pickard,Chris J. Pickard,Rafał Podeszwa,Louise S. Price,Sarah L. Price,Angeles Pulido,Murray G. Read,Karsten Reuter,Elia Schneider,Christoph Schober,Gregory P. Shields,Pawanpreet Singh,Isaac J. Sugden,Krzysztof Szalewicz,Christopher R. Taylor,Alexandre Tkatchenko,Alexandre Tkatchenko,Mark E. Tuckerman,Mark E. Tuckerman,Mark E. Tuckerman,Francesca Vacarro,Francesca Vacarro,Manolis Vasileiadis,Álvaro Vázquez-Mayagoitia,Leslie Vogt,Yanchao Wang,Rona E. Watson,Gilles A. de Wijs,Jack Yang,Qiang Zhu,Colin R. Groom +102 more
TL;DR: The results of the sixth blind test of organic crystal structure prediction methods are presented and discussed, highlighting progress for salts, hydrates and bulky flexible molecules, as well as on-going challenges.
Journal ArticleDOI
Modular and predictable assembly of porous organic molecular crystals
James T. A. Jones,Tom Hasell,Xiao-Feng Wu,John Bacsa,Kim E. Jelfs,Marc Schmidtmann,Samantha Y. Chong,Dave J. Adams,Abbie Trewin,Florian Schiffman,Furio Corà,Ben Slater,Alexander Steiner,Graeme M. Day,Andrew I. Cooper +14 more
TL;DR: It is shown that highly porous crystalline solids can be produced by mixing different organic cage modules that self-assemble by means of chiral recognition and can in principle be generalized in a computationally predictable manner based on a lock-and-key assembly between modules.
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Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind test.
Graeme M. Day,Timothy G. Cooper,Aurora J. Cruz-Cabeza,Katarzyna E. Hejczyk,Herman L. Ammon,Stephan X. M. Boerrigter,Jeffrey S. Tan,Raffaele Guido Della Valle,Elisabetta Venuti,Jovan Jose,Shridhar R. Gadre,Gautam R. Desiraju,Tejender S. Thakur,Bouke P. van Eijck,Julio C. Facelli,Victor E. Bazterra,Marta B. Ferraro,D. W. M. Hofmann,Marcus A. Neumann,Frank J. J. Leusen,John Kendrick,Sarah L. Price,Alston J. Misquitta,Panagiotis G. Karamertzanis,Gareth W. A. Welch,Harold A. Scheraga,Yelena A. Arnautova,Martin U. Schmidt,Jacco van de Streek,Alexandra K. Wolf,Bernd Schweizer +30 more
TL;DR: The results reflect important improvements in modelling methods and suggest that, at least for the small and fairly rigid types of molecules included in this blind test, such calculations can be constructively applied to help understand crystallization and polymorphism of organic molecules.