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)

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|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

Graeme M Day

Hanno Dietrich

Richard I Cooper

Simon J Coles

Nicholas Francia

Nathan S Abraham

Sarah M Clarke

A Daniel Boese

Doris E Braun

Joseph Cadden

Frequent Collaborators

Graeme M Day

Hanno Dietrich

Richard I Cooper

Simon J Coles