Graeme M. Day

Overview

Best Publications

• Report on the sixth blind test of organic crystal-structure prediction methods

  Anthony M. Reilly;Richard I. Cooper;Claire S. Adjiman;Saswata Bhattacharya

  644
  Citations

• Improving Mechanical Properties of Crystalline Solids by Cocrystal Formation: New Compressible Forms of Paracetamol

  Shyam Karki;Tomislav Friščić;László Fábián;Peter R. Laity

  593
  Citations

• A third blind test of crystal structure prediction

  G.M. Day;W.D.S. Motherwell;H.L. Ammon;S.X.M. Boerrigter

  547
  Citations

• A Cocrystal Strategy to Tune the Luminescent Properties of Stilbene-Type Organic Solid-State Materials

  Dongpeng Yan;Amit Delori;Gareth O. Lloyd;Tomislav Friščić

  544
  Citations

• Modular and predictable assembly of porous organic molecular crystals

  James T. A. Jones;Tom Hasell;Xiaofeng Wu;John Bacsa

  518
  Citations

• 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

  505
  Citations

• Towards crystal structure prediction of complex organic compounds--a report on the fifth blind test.

  David A. Bardwell;Claire S. Adjiman;Yelena A. Arnautova;Ekaterina Bartashevich

  490
  Citations

• Functional materials discovery using energy–structure–function maps

  Angeles Pulido;Linjiang Chen;Tomasz Kaczorowski;Daniel Holden

  476
  Citations

• Static and lattice vibrational energy differences between polymorphs

  Jonas Nyman;Graeme M. Day

  456
  Citations

• Modelling organic crystal structures using distributed multipole and polarizability-based model intermolecular potentials

  Sarah L. Price;Maurice Leslie;Gareth W. A. Welch;Matthew Habgood

  360
  Citations

• The prediction, morphology, and mechanical properties of the polymorphs of paracetamol.

  Theresa Beyer;Graeme M. Day;Sarah L. Price

  360
  Citations

• Terahertz time-domain spectroscopy and the quantitative monitoring of mechanochemical cocrystal formation

  K. Lien Nguyen;Tomislav Friščić;Graeme M. Day;Lynn F. Gladden

  348
  Citations

• Powder crystallography by combined crystal structure prediction and high-resolution 1H solid-state NMR spectroscopy.

  Elodie Salager;Graeme M. Day;Robin S. Stein;Chris J. Pickard

  264
  Citations

• Current approaches to predicting molecular organic crystal structures

  Graeme M. Day

  257
  Citations

• Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.

  Kecheng Jie;Ming Liu;Yujuan Zhou;Marc A. Little

  237
  Citations

• Machine learning for the structure–energy–property landscapes of molecular crystals

  Félix Musil;Sandip De;Jack Yang;Joshua E. Campbell

  219
  Citations

• De novo determination of the crystal structure of a large drug molecule by crystal structure prediction-based powder NMR crystallography.

  Maria Baias;Jean-Nicolas Dumez;Per Henrik Svensson;Staffan Schantz

  217
  Citations

• On–Off Porosity Switching in a Molecular Organic Solid

  James T. A. Jones;Daniel Holden;Tamoghna Mitra;Tom Hasell

  205
  Citations

• Evaluating the Energetic Driving Force for Cocrystal Formation.

  Christopher Robert Taylor;Graeme M. Day

  199
  Citations

• Which conformations make stable crystal structures? Mapping crystalline molecular geometries to the conformational energy landscape

  Hugh P. G. Thompson;Graeme M. Day

  198
  Citations

• Understanding the influence of polymorphism on phonon spectra : Lattice dynamics calculations and terahertz spectroscopy of carbamazepine

  G.M. Day;J.A. Zeitler;W. Jones;T. Rades

  185
  Citations

• Modular and predictable assembly of porous organic molecular crystals

  AI Cooper;GM Day;Jta Jones;X Wu

  0
  Citations