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Proceedings of the National Academy of Sciences of the United States of America
|
May 30, 2023
Reducing overprediction of molecular crystal structures via threshold clustering
Patrick W V Butler, Graeme M Day
The Journal of Physical Chemistry. A
|
January 26, 2024
Machine-Learned Potentials by Active Learning from Organic Crystal Structure Prediction Landscapes
Patrick W V Butler, Roohollah Hafizi, Graeme M Day
Faraday Discussions
|
September 20, 2024
Predictive crystallography at scale: mapping, validating, and learning from 1000 crystal energy landscapes
Christopher R Taylor, Patrick W V Butler, Graeme M Day
Chemical Communications (Cambridge, England)
|
August 10, 2019
Self-assembly of M<sub>4</sub>L<sub>4</sub> tetrahedral cages incorporating pendant P[double bond, length as m-dash]S and P[double bond, length as m-dash]Se functionalised ligands
Patrick W V Butler, Paul E Kruger, Jas S Ward
Physical Chemistry Chemical Physics : PCCP
|
July 9, 2026
Leveraging general molecular fragments to expand the design space of metal-organic polyhedra
Patrick W V Butler, Simon D Rihm, Sebastian Mosbach, et al.
Journal of Chemical Information and Modeling
|
April 1, 2026
Inverse Design of Metal-Organic Polyhedra through Molecular Fragmentation and Evolutionary Optimisation
Patrick W V Butler, Simon D Rihm, Sebastian Mosbach, et al.
Journal of the American Chemical Society
|
March 20, 2024
Facial Selectivity in Mechanical Bond Formation: Axially Chiral Enantiomers and Geometric Isomers from a Simple Prochiral Macrocycle
Peter R Gallagher, Andrea Savoini, Abed Saady, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 16, 2026
Computational modelling workflows for metal-organic polyhedra in The World Avatar
Patrick W V Butler, Arravind Subramanian, Simon D Rihm, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 17, 2024
The seventh blind test of crystal structure prediction: structure ranking methods
Lily M Hunnisett, Nicholas Francia, Jonas Nyman, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 15, 2024
The seventh blind test of crystal structure prediction: structure generation methods
Lily M Hunnisett, Jonas Nyman, Nicholas Francia, et al.
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of 1
Search research articles
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Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Proceedings of the National Academy of Sciences of the United States of America
|
May 30, 2023
Reducing overprediction of molecular crystal structures via threshold clustering
Patrick W V Butler, Graeme M Day
The Journal of Physical Chemistry. A
|
January 26, 2024
Machine-Learned Potentials by Active Learning from Organic Crystal Structure Prediction Landscapes
Patrick W V Butler, Roohollah Hafizi, Graeme M Day
Faraday Discussions
|
September 20, 2024
Predictive crystallography at scale: mapping, validating, and learning from 1000 crystal energy landscapes
Christopher R Taylor, Patrick W V Butler, Graeme M Day
Chemical Communications (Cambridge, England)
|
August 10, 2019
Self-assembly of M<sub>4</sub>L<sub>4</sub> tetrahedral cages incorporating pendant P[double bond, length as m-dash]S and P[double bond, length as m-dash]Se functionalised ligands
Patrick W V Butler, Paul E Kruger, Jas S Ward
Physical Chemistry Chemical Physics : PCCP
|
July 9, 2026
Leveraging general molecular fragments to expand the design space of metal-organic polyhedra
Patrick W V Butler, Simon D Rihm, Sebastian Mosbach, et al.
Journal of Chemical Information and Modeling
|
April 1, 2026
Inverse Design of Metal-Organic Polyhedra through Molecular Fragmentation and Evolutionary Optimisation
Patrick W V Butler, Simon D Rihm, Sebastian Mosbach, et al.
Journal of the American Chemical Society
|
March 20, 2024
Facial Selectivity in Mechanical Bond Formation: Axially Chiral Enantiomers and Geometric Isomers from a Simple Prochiral Macrocycle
Peter R Gallagher, Andrea Savoini, Abed Saady, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 16, 2026
Computational modelling workflows for metal-organic polyhedra in The World Avatar
Patrick W V Butler, Arravind Subramanian, Simon D Rihm, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 17, 2024
The seventh blind test of crystal structure prediction: structure ranking methods
Lily M Hunnisett, Nicholas Francia, Jonas Nyman, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 15, 2024
The seventh blind test of crystal structure prediction: structure generation methods
Lily M Hunnisett, Jonas Nyman, Nicholas Francia, et al.
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of 1