Patrick W V Butler

6PUBLICATIONS
69CO-AUTHORS
Biomolecular modelling and designComputational chemistryTheoretical and computational chemistry not elsewhere classifiedSupramolecular chemistry
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Publications (6)

|Jun 16, 2026
Computational modelling workflows for metal-organic polyhedra in The World Avatar.

|Oct 17, 2024
The seventh blind test of crystal structure prediction: structure ranking methods.

Lily M Hunnisett, Nicholas Francia, Jonas Nyman

|Oct 15, 2024
The seventh blind test of crystal structure prediction: structure generation methods.

Lily M Hunnisett, Jonas Nyman, Nicholas Francia

|Sep 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

|May 30, 2023
Reducing overprediction of molecular crystal structures via threshold clustering.

Patrick W V Butler, Graeme M Day

|Jun 27, 2022
Mechanically axially chiral catenanes and noncanonical mechanically axially chiral rotaxanes.

John R J Maynard, Peter Gallagher, David Lozano

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Frequent Collaborators

4 joint publications

Graeme M Day

2 joint publications

Hanno Dietrich

2 joint publications

Richard I Cooper

2 joint publications

Simon J Coles