Graeme M Day (G M Day)

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 45

Top Venues

Nature

Journal of the American Chemical Society

The journal of physical chemistry. A

Chemical science

University of Southampton

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Southampton Aug 01 2014

United Kingdom

Professor of Chemical Modelling :: Chemistry

University of Southampton Sep 01 2012 - Jul 31 2014

United Kingdom

Reader :: chemistry

Publications

Patrick W V Butler, Roohollah Hafizi, Graeme M Day
Machine-Learned Potentials by Active Learning from Organic Crystal Structure Prediction Landscapes. The journal of physical chemistry. A 128 (5) (2024)
Megan O'Shaughnessy, Joseph Glover, Roohollah Hafizi, Mounib Bahri, Rob Clowes, Samantha Y Chong, Stephen P Argent, Graeme M Day, Andrew I Cooper
Porous isoreticular non-metal organic frameworks. Nature (2024)
Patrick W V Butler, Roohollah Hafizi, Graeme M Day
Machine-Learned Potentials by Active Learning from Organic Crystal Structure Prediction Landscapes. The journal of physical chemistry. A 128 (5) (2024)
Megan O'Shaughnessy, Joseph Glover, Roohollah Hafizi, Mounib Bahri, Rob Clowes, Samantha Y Chong, Stephen P Argent, Graeme M Day, Andrew I Cooper
Porous isoreticular non-metal organic frameworks. Nature 630 (8015) (2024)
Megan O'Shaughnessy, Joseph Glover, Roohollah Hafizi, Mounib Bahri, Rob Clowes, Samantha Y Chong, Stephen P Argent, Graeme M Day, Andrew I Cooper
Porous isoreticular non-metal organic frameworks. Nature 630 (8015) (2024)
Megan O'Shaughnessy, Joseph Glover, Roohollah Hafizi, Mounib Bahri, Rob Clowes, Samantha Y Chong, Stephen P Argent, Graeme M Day, Andrew I Cooper
Porous isoreticular non-metal organic frameworks. Nature (2024)
Megan O'Shaughnessy, Joseph Glover, Roohollah Hafizi, Mounib Bahri, Rob Clowes, Samantha Y Chong, Stephen P Argent, Graeme M Day, Andrew I Cooper
Porous isoreticular non-metal organic frameworks. Nature 630 (8015) (2024)
Patrick W V Butler, Roohollah Hafizi, Graeme M Day
Machine-Learned Potentials by Active Learning from Organic Crystal Structure Prediction Landscapes. The journal of physical chemistry. A 128 (5) (2024)
Patrick W V Butler, Roohollah Hafizi, Graeme M Day
Machine-Learned Potentials by Active Learning from Organic Crystal Structure Prediction Landscapes. The journal of physical chemistry. A (2024)
Megan O'Shaughnessy, Joseph Glover, Roohollah Hafizi, Mounib Bahri, Rob Clowes, Samantha Y Chong, Stephen P Argent, Graeme M Day, Andrew I Cooper
Porous isoreticular non-metal organic frameworks. Nature 630 (8015) (2024)
Megan O'Shaughnessy, Joseph Glover, Roohollah Hafizi, Mounib Bahri, Rob Clowes, Samantha Y Chong, Stephen P Argent, Graeme M Day, Andrew I Cooper
Porous isoreticular non-metal organic frameworks. Nature (2024)
Christopher R Taylor, Patrick W V Butler, Graeme M Day
Predictive crystallography at scale: mapping, validating, and learning from 1000 crystal energy landscapes. Faraday discussions (2024)
Amy M Lunt, Hatem Fakhruldeen, Gabriella Pizzuto, Louis Longley, Alexander White, Nicola Rankin, Rob Clowes, Ben Alston, Lucia Gigli, Graeme M Day, Andrew I Cooper, Samantha Yu-Ling Chong
Modular, multi-robot integration of laboratories: an autonomous workflow for solid-state chemistry. Chemical science 15 (7) (2023)
Amy M Lunt, Hatem Fakhruldeen, Gabriella Pizzuto, Louis Longley, Alexander White, Nicola Rankin, Rob Clowes, Ben Alston, Lucia Gigli, Graeme M Day, Andrew I Cooper, Samantha Yu-Ling Chong
Modular, multi-robot integration of laboratories: an autonomous workflow for solid-state chemistry. Chemical science 15 (7) (2023)
Martin R Ward, Christopher R Taylor, Matthew T Mulvee, Giulio I Lampronti, Ana M Belenguer, Jonathan W Steed, Graeme M Day, Iain D H Oswald
Pushing Technique Boundaries to Probe Conformational Polymorphism. Crystal growth & design 23 (10) (2023)
Patrick W V Butler, Graeme M Day
Reducing overprediction of molecular crystal structures via threshold clustering. Proceedings of the National Academy of Sciences of the United States of America 120 (23) (2023)
Norbert M Villeneuve, Joshua Dickman, Thierry Maris, Graeme M Day, James D Wuest
Seeking Rules Governing Mixed Molecular Crystallization. Crystal growth & design 23 (1) (2022)
Martins Balodis, Manuel Cordova, Albert Hofstetter, Graeme M Day, Lyndon Emsley
De Novo Crystal Structure Determination from Machine Learned Chemical Shifts. Journal of the American Chemical Society 144 (16) (2022)
Aaron Gabriel Nunez Avila, Benoît Deschênes-Simard, Joseph E Arnold, Mathieu Morency, Daniel Chartrand, Thierry Maris, Gilles Berger, Graeme M Day, Stephen Hanessian, James D Wuest
Surprising Chemistry of 6-Azidotetrazolo[5,1- a ]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives. The Journal of organic chemistry 87 (10) (2022)
Shiyue Yang, Graeme M Day
Global analysis of the energy landscapes of molecular crystal structures by applying the threshold algorithm. Communications chemistry 5 (1) (2022)
Megan O'Shaughnessy, Peter R Spackman, Marc A Little, Luca Catalano, Alex M James, Graeme M Day, Andrew I Cooper
Targeted design of porous materials without strong, directional interactions. Chemical communications (Cambridge, England) 58 (95) (2022)
Shiyue Yang, Graeme M Day
Global analysis of the energy landscapes of molecular crystal structures by applying the threshold algorithm. Communications chemistry 5 (1) (2022)
Norbert M Villeneuve, Joshua Dickman, Thierry Maris, Graeme M Day, James D Wuest
Seeking Rules Governing Mixed Molecular Crystallization. Crystal growth & design 23 (1) (2022)
Qiang Zhu, Jay Johal, Daniel E Widdowson, Zhongfu Pang, Boyu Li, Christopher M Kane, Vitaliy Kurlin, Graeme M Day, Marc A Little, Andrew I Cooper
Analogy Powered by Prediction and Structural Invariants: Computationally Led Discovery of a Mesoporous Hydrogen-Bonded Organic Cage Crystal. Journal of the American Chemical Society 144 (22) (2022)
Shiyue Yang, Graeme M Day
Exploration and Optimization in Crystal Structure Prediction: Combining Basin Hopping with Quasi-Random Sampling. Journal of chemical theory and computation 17 (3) (2021)
Chengxi Zhao, Linjiang Chen, Yu Che, Zhongfu Pang, Xiaofeng Wu, Yunxiang Lu, Honglai Liu, Graeme M Day, Andrew I Cooper
Digital navigation of energy-structure-function maps for hydrogen-bonded porous molecular crystals. Nature communications 12 (1) (2021)
Donglin He, Chengxi Zhao, Linjiang Chen, Marc A Little, Samantha Y Chong, Rob Clowes, Katherine McKie, Mark G Roper, Graeme M Day, Ming Liu, Andrew I Cooper
Inherent Ethyl Acetate Selectivity in a Trianglimine Molecular Solid. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (41) (2021)
Edward O Pyzer-Knapp, Linjiang Chen, Graeme M Day, Andrew I Cooper
Accelerating computational discovery of porous solids through improved navigation of energy-structure-function maps. Science advances 7 (33) (2021)
Olga Egorova, Roohollah Hafizi, David C Woods, Graeme M Day
Multifidelity Statistical Machine Learning for Molecular Crystal Structure Prediction. The journal of physical chemistry. A 124 (39) (2020)
Graeme M Day
Combining forces: complementary techniques brought together to determine tricky crystal structures. Acta crystallographica Section B, Structural science, crystal engineering and materials 76 (Pt 3) (2020)
Peng Cui, Erik Svensson Grape, Peter R Spackman, Yue Wu, Rob Clowes, Graeme M Day, A Ken Inge, Marc A Little, Andrew I Cooper
An Expandable Hydrogen-Bonded Organic Framework Characterized by Three-Dimensional Electron Diffraction. Journal of the American Chemical Society 142 (29) (2020)
Chi Y Cheng, Joshua E Campbell, Graeme M Day
Evolutionary chemical space exploration for functional materials: computational organic semiconductor discovery. Chemical science 11 (19) (2020)
Christopher R Taylor, Matthew T Mulvee, Domonkos S Perenyi, Michael R Probert, Graeme M Day, Jonathan W Steed
Minimizing Polymorphic Risk through Cooperative Computational and Experimental Exploration. Journal of the American Chemical Society 142 (39) (2020)
Marta Katarzyna Dudek, Ewelina Wielgus, Piotr Paluch, Justyna Śniechowska, Maciej Kostrzewa, Graeme M Day, Grzegorz D Bujacz, Marek J Potrzebowski
Understanding the formation of apremilast cocrystals. Acta crystallographica Section B, Structural science, crystal engineering and materials 75 (Pt 5) (2019)
Rebecca L Greenaway, Valentina Santolini, Angeles Pulido, Marc A Little, Ben M Alston, Michael E Briggs, Graeme M Day, Andrew I Cooper, Kim E Jelfs
From Concept to Crystals via Prediction: Multi-Component Organic Cage Pots by Social Self-Sorting. Angewandte Chemie (International ed. in English) 58 (45) (2019)
Albert Hofstetter, Martins Balodis, Federico M Paruzzo, Cory M Widdifield, Gabriele Stevanato, Arthur C Pinon, Peter J Bygrave, Graeme M Day, Lyndon Emsley
Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints. Journal of the American Chemical Society 141 (42) (2019)
David McDonagh, Chris-Kriton Skylaris, Graeme M Day
Machine-Learned Fragment-Based Energies for Crystal Structure Prediction. Journal of chemical theory and computation 15 (4) (2019)
Peng Cui, David P McMahon, Peter R Spackman, Ben M Alston, Marc A Little, Graeme M Day, Andrew I Cooper
Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights. Chemical science 10 (43) (2019)
Luc M LeBlanc, Stephen G Dale, Christopher R Taylor, Axel D Becke, Graeme M Day, Erin R Johnson
Pervasive Delocalisation Error Causes Spurious Proton Transfer in Organic Acid-Base Co-Crystals. Angewandte Chemie (International ed. in English) 57 (45) (2018)
Kecheng Jie, Ming Liu, Yujuan Zhou, Marc A Little, Angeles Pulido, Samantha Y Chong, Andrew Stephenson, Ashlea R Hughes, Fumiyasu Sakakibara, Tomoki Ogoshi, Frédéric Blanc, Graeme M Day, Feihe Huang, Andrew I Cooper
Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals. Journal of the American Chemical Society 140 (22) (2018)
Jonas Nyman, Graeme M Day
Modelling temperature-dependent properties of polymorphic organic molecular crystals. Physical chemistry chemical physics : PCCP 18 (45) (2018)
Marcin Selent, Jonas Nyman, Juho Roukala, Marek Ilczyszyn, Raija Oilunkaniemi, Peter J Bygrave, Risto Laitinen, Jukka Jokisaari, Graeme M Day, Perttu Lantto
Clathrate Structure Determination by Combining Crystal Structure Prediction with Computational and Experimental 129 Xe NMR Spectroscopy. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (22) (2017)
Félix Musil, Sandip De, Jack Yang, Joshua E Campbell, Graeme M Day, Michele Ceriotti
Machine learning for the structure-energy-property landscapes of molecular crystals. Chemical science 9 (5) (2017)
Mihails Arhangelskis, Mark D Eddleston, David G Reid, Graeme M Day, Dejan-Krešimir Bučar, Andrew J Morris, William Jones
Rationalization of the Color Properties of Fluorescein in the Solid State: A Combined Computational and Experimental Study. Chemistry (Weinheim an der Bergstrasse, Germany) 22 (29) (2016)
A G Slater, M A Little, A Pulido, Samantha Yu-Ling Chong, D Holden, L Chen, C Morgan, X Wu, G Cheng, R Clowes, M E Briggs, T Hasell, K E Jelfs, Graeme M Day, A I Cooper
Reticular synthesis of porous molecular 1D nanotubes and 3D networks. Nature chemistry 9 (1) (2016)

Graeme M Day.css-eqlu8i{font-size:small;padding-left:4px;} (G M Day)

Publication Activity (10 Years)

Top Topics

Top Venues

Graeme M Day (G M Day)