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3 results in Authors: Isaac Sugden

Theoretical and Computational Chemistry

Large-scale parameter estimation for Crystal Structure Prediction. Part 1: Dataset, Methodology, and Implementation

David Bowskill, Benjamin Tan, Adam Keates, Isaac Sugden, Claire Adjiman, Constantinos Pantelides

Version 1 posted 21 August 2024

176

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Materials Science

Computational Screening of Organic Semiconductors: Exploring Side-Group Functionalisation and Assembly to Optimise Charge Transport in Chiral Molecules

Julia A. Schmidt, Joseph A. Weatherby, Isaac Sugden, Alejandro Santana-Bonilla, Francesco Salerno, Matthew Fuchter, Erin Johnson, Jenny Nelson, Kim Jelfs

Version 2 posted 25 March 2021

1,072

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Materials Chemistry

Rationalising the difference in crystallisability of two Sulflowers using efficient in silico methods.

Isaac Sugden, Nicholas Francia, Torsten Jensen, Claire Adjiman, Matteo Salvalaglio

Version 1 posted 08 July 2022

177

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