ANGLE - ERC - Dr Graeme Day | University of Southampton

Staff

Lead researcher

Professor Graeme Day

Professor of Chemical Modelling

Research interests

crystal structure prediction
materials discovery
computational chemistry

Connect with Graeme

Email: g.m.day@soton.ac.uk

Research outputs

Photocatalytic proton reduction by a computationally identified, molecular hydrogen-bonded framework

Catherine Aitchison,

Christopher Kane,

David P. Mcmahon,

Peter Spackman,

Angeles Pulido,

Xiaoyan Wang,

Liam Wilbraham,

Linjiang Chen,

Rob Clowes,

Martijn Zwijnenburg,

Reiner Sebastian Sprick,

Marc A. Little,

Graeme M. Day,

& Andrew I. Cooper

, 2020 , Journal of Materials Chemistry A , 8 (15) , 7158--7170

DOI: 10.1039/D0TA00219D

Type: article

Reticular synthesis of porous molecular 1D nanotubes and 3D networks

A.G. Slater,

M.A. Little,

A. Pulido,

S.Y. Chong,

D. Holden,

L. Chen,

C. Morgan,

X. Wu,

G. Cheng,

R. Clowes,

M.E. Briggs,

T. Hasell,

K.E. Jelfs,

G.M. Day,

& A.I. Cooper

, 2016 , Nature Chemistry , 9 , 17--25

DOI: 10.1038/nchem.2663

Type: article

Solid-state chemistry and polymorphism of the nucleobase adenine

Tomislav Stolar,

Stipe Lukin,

Josip Pozar,

Mirta Rubcic,

Graeme Day,

Ivana Biljan,

Dubravka Sisak Jung,

Gordan Horvat,

Krunoslav Uzarevic,

Ernest Mestrovic,

& Ivan Halasz

, 2016 , Crystal Growth & Design , 16 (6) , 3262–3270

DOI: 10.1021/acs.cgd.6b00243

Type: article

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

Anthony M. Reilly,

Richard I. Cooper,

Claire S. Adjiman,

Saswate Bhattacharya,

A. Daniel Boese,

Jan Gerit Brandenburg,

Peter J. Bygrave,

Rita Bylsma,

Josh E. Campbell,

Roberto Car,

David H. Case,

Renu Chadha,

Jason C. Cole,

Katherine Cosburn,

Herma M. Cuppen,

Farren Curtis,

Graeme M. Day,

Robert A. DiStasio Jr,

Alexander Dzyabchenko,

Bouke P. van Eijck,

Dennis M. Elking,

Joost A. can den Ende,

Julio C. Facelli,

Marta B. Ferraro,

Laszlo Fusti-Molnar,

Chritina-Anna Gatsiou,

Thomas S. Gee,

Rene de Gelder,

Luca M. Ghiringhelli,

Hitoshi Goto,

Stefan Grimme,

Rui Guo,

Detlef W.M. Hofmann,

Johannes Hoja,

Rebecca K. Hylton,

Luca Iuzzolino,

Wojciech Jankiewicz,

Daniel T. de Jong,

John Kendrick,

Niek J.J. de Klerk,

Hsin-Yu Ko,

Liudmila N. Kuleshova,

Xiayue Li,

Sanjaya Lohani,

Frank J.J. Leusen,

Albert M. Lund,

Jian Lv,

Yanming Ma,

Noa Marom,

Artem 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 I. Pagola,

Constantinos C. Pantelides,

Chris J. Pickard,

Rafal 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 Szaleqicz,

Christopher R. Taylor,

Alexandre Tkatchenko,

Mark E. Tuckerman,

Francesca Vacarro,

Manolis Vasileiadis,

Alvaro Vazquez-Mayagoitia,

Leslie Vogt,

Yanchao Wang,

Rona E. Watson,

Gilles A. de Wijs,

Jack Yang,

Qiang Zhu,

& Colin R. Groom

, 2016 , Acta Crystallographica Section B: Structural Science , 1--59

Type: article

Accurate force fields and methods for modelling organic molecular crystals at finite temperatures

Jonas Nyman,

Orla Sheehan Pundyke,

& Graeme Day

, 2016 , Physical Chemistry Chemical Physics , 1--11

DOI: 10.1039/C6CP02261H

Type: article