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Theoretical and Computational Chemistry

Working Paper

LiCOMPGNN - Lightweight Contextual Message Passing for Crystalline Materials Property Prediction

Zachary Humphreys, Xenophon Evangelopoulos, Stavros Gerolymatos, Edward O. Pyzer-Knapp, Andrew I. Cooper

Version 1 posted 08 August 2024

219

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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

528

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Organic Chemistry

Working Paper

Computationally-Inspired Discovery of an Unsymmetrical Porous Organic Cage

Enrico Berardo, Rebecca L. Greenaway, Lukas Turcani, Ben M. Alston, Michael J. Bennison, Marcin Miklitz, Rob Clowes, Micheal E. Briggs, Andrew I. Cooper, Kim Jelfs

Version 1 posted 26 July 2018

839

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Organic Chemistry

Working Paper

From Concept to Crystals via Prediction: Multi-Component Organic Cage Pots by Social Self-Sorting

Rebecca L. Greenaway, Valentina Santolini, Angeles Pulido, Marc A. Little, Ben M. Alston, Michael Briggs, Graeme Day, Andrew I. Cooper, Kim Jelfs

Version 1 posted 24 July 2019

618

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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

565

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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

744

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Materials Chemistry

Working Paper

Using Sound to Synthesize Covalent Organic Frameworks in Water

Wei Zhao, Peiyao Yan, Haofan Yang, Mounib Bahri, Alex James, HONGMEI CHEN, Lunjie Liu, Boyu Li, Zhongfu Pang, Rob Clowes, Nigel D. Browning, John W. Ward, Yue Wu, Andrew I. Cooper

Version 1 posted 15 June 2021

2,017

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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

859

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Catalysis

Working Paper

Photocatalyst Z-Scheme System Composed of a Linear Conjugated Polymer and BiVO4 for Overall Water Splitting Under Visible Light

Yang Bai, Keita Nakagawa, Alexander Cowan, Catherine Aitchison, Yuichi Yamaguchi, Martijn Zwijnenburg, Akihiko Kudo, Seb Sprick, Andrew I. Cooper

Version 1 posted 08 May 2020

811

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Organic Chemistry

Working Paper

Continuous and Scalable Synthesis of a Porous Organic Cage by Twin Screw Extrusion (TSE)

Benjamin Egleston, Michael C. Brand, Francesca Greenwell, Michael E. Briggs, Stuart L. James, Andrew I. Cooper, Deborah E. Crawford, Rebecca L. Greenaway

Version 1 posted 01 April 2020

390

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Refine Search

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

LiCOMPGNN - Lightweight Contextual Message Passing for Crystalline Materials Property Prediction

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

Computationally-Inspired Discovery of an Unsymmetrical Porous Organic Cage

From Concept to Crystals via Prediction: Multi-Component Organic Cage Pots by Social Self-Sorting

Computational Screening for Nested Organic Cage Complexes

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

Using Sound to Synthesize Covalent Organic Frameworks in Water

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

Photocatalyst Z-Scheme System Composed of a Linear Conjugated Polymer and BiVO4 for Overall Water Splitting Under Visible Light

Continuous and Scalable Synthesis of a Porous Organic Cage by Twin Screw Extrusion (TSE)

27 results in Authors: Andrew I. Cooper