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Theoretical and Computational Chemistry

Working Paper

Distributed Multi-Objective Bayesian Optimization for the Intelligent Navigation of Energy Structure Function Maps For Efficient Property Discovery

Edward Pyzer-Knapp, Graeme Day, Linjiang Chen, Andrew I. Cooper

Version 1 posted 30 September 2020

526

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1

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Catalysis

Working Paper

Conjugated Polymer Donor-Molecular Acceptor Nanohybrids for Photocatalytic Hydrogen Evolution

Haofan Yang, Xiaobo Li, Reiner Sebastian Sprick, Andrew I. Cooper

Version 2 posted 27 December 2019

798

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1

Citations

Organic Chemistry

Working Paper

Geometric Landscapes for Material Discovery within Energy-Structure-Function Maps

Seyed Mohamad Moosavi, Henglu Xu, Linjiang Chen, Andrew I. Cooper, Berend Smit

Version 1 posted 07 February 2020

527

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Catalysis

Working Paper

Incorporating Heteroatoms into Fluorene-type Conjugated Polymers for Enhanced Photocatalytic Hydrogen Production

Yang Bai, Duncan J. Woods, Liam Wilbraham, Catherine Aitchison, Martijn Zwijnenburg, Seb Sprick, Andrew I. Cooper

Version 2 posted 20 December 2019

830

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Physical Chemistry

Working Paper

Tracking Charge Transfer to Residual Metal Clusters in Conjugated Polymers for Photocatalytic Hydrogen Evolution

Michael Sachs, Hyojung Cha, Jan Kosco, Catherine M. Aitchison, Laia Francàs, Sacha Corby, Chao-Lung Chiang, Anna A. Wilson, Robert Godin, Alexander Fahey-Williams, Andrew I. Cooper, Seb Sprick, Iain McCulloch, James R Durrant

Version 1 posted 12 May 2020

1,136

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Theoretical and Computational Chemistry

Working Paper

Fine-tuning GPT-3 for machine learning electronic and functional properties of organic molecules

Zikai Xie, Xenophon Evangelopoulos, Ömer Omar, Alessandro Troisi, Andrew I. Cooper, Linjiang Chen

Version 1 posted 23 August 2023

579

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Organic Chemistry

Working Paper

Computational Screening for Nested Organic Cage Complexes

Enrico Berardo, Rebecca L. Greenaway, Marcin Miklitz, Andrew I. Cooper, Kim Jelfs

Version 1 posted 25 July 2019

550

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Organic Chemistry

Working Paper

Inducing Social Self-Sorting in Organic Cages to Tune the Shape of the Internal Cavity

Valentina Abet, Filip Szczypiński, Marc Little, Valentina Santolini, Christopher D. Jones, Robert Evans, Craig Wilson, Xiaofeng Wu, Michael Thorne, Michael J. Bennison, Peng Cui, Andrew I. Cooper, Kim Jelfs, Anna Slater

Version 1 posted 26 May 2020

730

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Materials Chemistry

Working Paper

Melt-Quenched Porous Organic Cage Glasses

Michael C. Brand, Francesca Greenwell, Rob Clowes, Benjamin Egleston, Aiting Kai, Andrew I. Cooper, Thomas Bennett, Rebecca L. Greenaway

Version 1 posted 23 February 2021

342

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Organic Chemistry

Working Paper

Controlling Gas Selectivity in Molecular Porous Liquids by Tuning the Cage Window Size

Benjamin Egleston, Konstantin V. Luzyanin, Michael C. Brand, Rob Clowes, Michael E. Briggs, Rebecca L. Greenaway, Andrew I. Cooper

Version 1 posted 12 November 2019

501

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26 results in Andrew I. Cooper in Authors: Andrew I. Cooper

Distributed Multi-Objective Bayesian Optimization for the Intelligent Navigation of Energy Structure Function Maps For Efficient Property Discovery

Conjugated Polymer Donor-Molecular Acceptor Nanohybrids for Photocatalytic Hydrogen Evolution

Geometric Landscapes for Material Discovery within Energy-Structure-Function Maps

Incorporating Heteroatoms into Fluorene-type Conjugated Polymers for Enhanced Photocatalytic Hydrogen Production

Tracking Charge Transfer to Residual Metal Clusters in Conjugated Polymers for Photocatalytic Hydrogen Evolution

Fine-tuning GPT-3 for machine learning electronic and functional properties of organic molecules

Computational Screening for Nested Organic Cage Complexes

Inducing Social Self-Sorting in Organic Cages to Tune the Shape of the Internal Cavity

Melt-Quenched Porous Organic Cage Glasses

Controlling Gas Selectivity in Molecular Porous Liquids by Tuning the Cage Window Size

26 results in Authors: Andrew I. Cooper