Graeme M. Day

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Andrew I. CooperUniversity of LiverpoolCorreu electrònic verificat a liv.ac.uk
Marc A. LittleUniversity of LiverpoolCorreu electrònic verificat a liverpool.ac.uk
Tomislav FriscicUniversity of BirminghamCorreu electrònic verificat a bham.ac.uk
Sam ChongUniversity of LiverpoolCorreu electrònic verificat a liverpool.ac.uk
Kim E JelfsProfessor of Computational Materials Chemistry at Imperial College LondonCorreu electrònic verificat a imperial.ac.uk
Tom HasellUniversity of LiverpoolCorreu electrònic verificat a liv.ac.uk
Rob ClowesUniversity of LiverpoolCorreu electrònic verificat a liverpool.ac.uk
Aurora J. Cruz-CabezaUniversity of DurhamCorreu electrònic verificat a durham.ac.uk
Angeles PulidoCressetCorreu electrònic verificat a cresset-group.com
Josh E. CampbellUniversity of SouthamptonCorreu electrònic verificat a soton.ac.uk
Jonas NymanThe Cambridge Crystallographic Data CentreCorreu electrònic verificat a ccdc.cam.ac.uk
Lyndon EmsleyEcole Polytechnique Fédérale de Lausanne (EPFL)Correu electrònic verificat a epfl.ch
John BacsaEmory UniversityCorreu electrònic verificat a emory.edu
Dave J. AdamsProfessor of Chemistry, University of GlasgowCorreu electrònic verificat a glasgow.ac.uk
Axel ZeitlerProfessor of Microstructure Engineering, University of CambridgeCorreu electrònic verificat a cam.ac.uk
Edward O. Pyzer-KnappChief Scientific Officer | Editor in Chief, Applied AI LettersCorreu electrònic verificat a xyme.ai
Mark EddlestonUniversity of CambridgeCorreu electrònic verificat a cam.ac.uk
Peter R. SpackmanCurtin UniversityCorreu electrònic verificat a curtin.edu.au
Peter BygraveSenior Research Associate, University of BristolCorreu electrònic verificat a bristol.ac.uk
Andrew StephensonPDRA, University of LiverpoolCorreu electrònic verificat a liverpool.ac.uk

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Graeme M. Day

Professor of Chemical Modelling, University of Southampton

Correu electrònic verificat a soton.ac.uk - Pàgina d'inici

computational chemistry materials discovery crystal structure structure prediction


Títol Ordena per cites Ordena per any Ordena per títol	Citada per Citada per	Any
Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ... Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016	641	2016
Improving mechanical properties of crystalline solids by cocrystal formation: new compressible forms of paracetamol S Karki, T Friščić, L Fábián, PR Laity, GM Day, W Jones Advanced Materials 21 (38‐39), 3905-3909, 2009	587	2009
A third blind test of crystal structure prediction GM Day, WDS Motherwell, HL Ammon, SXM Boerrigter, RG Della Valle, ... Acta Crystallographica Section B: Structural Science 61 (5), 511-527, 2005	543	2005
A Cocrystal Strategy to Tune the Luminescent Properties of Stilbene‐Type Organic Solid‐State Materials D Yan, A Delori, GO Lloyd, T Friščić, GM Day, W Jones, J Lu, M Wei, ... Angewandte Chemie, 2011	527	2011
Modular and predictable assembly of porous organic molecular crystals JTA Jones, T Hasell, X Wu, J Bacsa, KE Jelfs, M Schmidtmann, SY Chong, ... Nature 474 (7351), 367-371, 2011	500	2011
Significant progress in predicting the crystal structures of small organic molecules-a report on the fourth blind test GM Day, TG Cooper, AJ Cruz-Cabeza, KE Hejczyk, HL Ammon, ... Acta Crystallographica Section B: Structural Science 65 (2), 107-125, 2009	499	2009
Towards crystal structure prediction of complex organic compounds-a report on the fifth blind test DA Bardwell, CS Adjiman, YA Arnautova, E Bartashevich, SXM Boerrigter, ... Acta Crystallographica Section B: Structural Science 67 (6), 535-551, 2011	479	2011
Functional materials discovery using energy–structure–function maps A Pulido, L Chen, T Kaczorowski, D Holden, MA Little, SY Chong, ... Nature 543 (7647), 657-664, 2017	464	2017
Static and lattice vibrational energy differences between polymorphs J Nyman, GM Day CrystEngComm 17 (28), 5154-5165, 2015	430	2015
The prediction, morphology, and mechanical properties of the polymorphs of paracetamol T Beyer, GM Day, SL Price Journal of the American Chemical Society 123 (21), 5086-5094, 2001	374	2001
Modelling organic crystal structures using distributed multipole and polarizability-based model intermolecular potentials SL Price, M Leslie, GWA Welch, M Habgood, LS Price, PG Karamertzanis, ... Physical Chemistry Chemical Physics 12 (30), 8478-8490, 2010	363	2010
Terahertz time-domain spectroscopy and the quantitative monitoring of mechanochemical cocrystal formation KL Nguyen, T Friščić, GM Day, LF Gladden, W Jones Nature materials 6 (3), 206-209, 2007	343	2007
Powder crystallography by combined crystal structure prediction and high-resolution 1H solid-state NMR spectroscopy E Salager, GM Day, RS Stein, CJ Pickard, B Elena, L Emsley Journal of the American Chemical Society 132 (8), 2564-2566, 2010	257	2010
Current approaches to predicting molecular organic crystal structures GM Day Crystallography Reviews 17 (1), 3-52, 2011	255	2011
Machine learning for the structure–energy–property landscapes of molecular crystals F Musil, S De, J Yang, JE Campbell, GM Day, M Ceriotti Chemical science 9 (5), 1289-1300, 2018	220	2018
Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[n]arene Crystals K Jie, M Liu, Y Zhou, MA Little, A Pulido, SY Chong, A Stephenson, ... Journal of the American Chemical Society 140 (22), 6921-6930, 2018	216	2018
De Novo Determination of the Crystal Structure of a Large Drug Molecule by Crystal Structure Prediction-Based Powder NMR Crystallography M Baias, JN Dumez, PH Svensson, S Schantz, GM Day, L Emsley Journal of the American Chemical Society 135 (46), 17501-17507, 2013	216	2013
On–Off Porosity Switching in a Molecular Organic Solid JTA Jones, D Holden, T Mitra, T Hasell, DJ Adams, KE Jelfs, A Trewin, ... Angewandte Chemie 123 (3), 775-779, 2011	213	2011
Solid-state dynamic combinatorial chemistry: reversibility and thermodynamic product selection in covalent mechanosynthesis AM Belenguer, T Friščić, GM Day, JKM Sanders Chemical Science 2 (4), 696-700, 2011	211	2011
Which conformations make stable crystal structures? Mapping crystalline molecular geometries to the conformational energy landscape HPG Thompson, GM Day Chemical Science 5, 3173-3182, 2014	197	2014

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