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Theoretical and Computational Chemistry

Working Paper

Machine Learning Accelerated Genetic Algorithms for Computational Materials Search

Steen Lysgaard, Paul C. Jennings, Jens Strabo Hummelshøj, Thomas Bligaard, Tejs Vegge

Version 2 posted 10 December 2018

1,045

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Analytical Chemistry

Working Paper

Implanted chemical sensors for functional radiography

Md Arifuzzaman, Paul W. Millhouse, Yash Raval, Thomas B. Pace, Caleb J. Behrend, John D. DesJardins, Tzuen-Rong J. Tzeng, Jeffrey N. Anker

Version 1 posted 22 September 2017

725

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1

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Inorganic Chemistry

Working Paper

Mechanical Properties and Processing Techniques of Bulk Metal-Organic Framework Glasses

Thomas Bennett, Shichun Li, Rene Limbach, Louis Longley, Amir Shirzadi, John C. Walmsley, Duncan Johnstone, Paul A. Midgley, Lothar Wondraczek

Version 1 posted 22 October 2018

887

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Inorganic Chemistry

Working Paper

Synthesis and Kinetic Stabilization of a Theoretically Predicted Sn(II)-Perovskite Oxide as a Nanoshell

Shaun O'Donnell, DJ Osborne, Gowri Krishnan, Theresa Block, Aylin Koldemir, Thomas Small, Rachel Broughton, Jacob Jones, Rainer Pöttgen, Gunther Andersson, Gregory Metha, Paul Maggard

Version 2 posted 20 July 2022

221

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Materials Chemistry

Working Paper

Influence of near-surface oxide layers on TiFe hydrogenation: mechanistic insights and implications for hydrogen storage applications

Archa Santhosh, ShinYoung Kang, Nathan Keilbart, Brandon C. Wood, Thomas Klassen, Paul Jerabek, Martin Dornheim

Version 1 posted 18 May 2023

129

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Theoretical and Computational Chemistry

Working Paper

Sample Efficient Reinforcement Learning with Active Learning for Molecular Design

Michael Dodds, Jeff Guo, Thomas Löhr, Alessandro Tibo, Ola Engkvist, Jon Paul Janet

Version 1 posted 08 August 2023

750

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2

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Organic Chemistry

Working Paper

Readily Accessible Strained Difunctionalized trans-Cyclooctenes with Fast Click and Release Capabilities

Daan Sondag, Luuk Maartense, Heleen de Jong, Frank de Kleijne, Kim Bonger, Dennis Lowik, Thomas Boltje, Jan Dommerholt, Paul White, Daniel Blanco-Ania, Floris Rutjes

Version 1 posted 18 October 2022

399

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Nanoscience

Working Paper

Hierarchically doped plasmonic nanocrystal metamaterials

Kihoon Kim, Zachary Sherman, Angela Cleri, Woo Je Chang, Jon-Paul Maria, Thomas Truskett, Delia Milliron

Version 1 posted 28 June 2023

125

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Organic Chemistry

Working Paper

Shapeshifting Antibiotics: Bullvalene Linked Vancomycin Dimers are Effective Against Multidrug-Resistant Gram-Positive Bacteria

Alessandra Ottonello, Jessica A. Wyllie, Oussama Yahiaoui, Ewan Murray, Paul Williams, Jani R. Bolla, Carol V. Robinson, Thomas Fallon, Tatiana P. Soares da Costa, John E. Moses

Version 1 posted 21 April 2022

1,065

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2

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Inorganic Chemistry

Working Paper

Fluorescence-based Measurement of the Lewis Acidities of Lanthanide Triflates in Solution

Paul Demay-Drouhard, Joshua Gaffen, Christopher Caputo, Thomas Baumgartner

Version 1 posted 29 April 2022

233

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1

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Refine Search

56 results in Paul Thomas in Authors: Paul Thomas

Machine Learning Accelerated Genetic Algorithms for Computational Materials Search

Implanted chemical sensors for functional radiography

Mechanical Properties and Processing Techniques of Bulk Metal-Organic Framework Glasses

Synthesis and Kinetic Stabilization of a Theoretically Predicted Sn(II)-Perovskite Oxide as a Nanoshell

Influence of near-surface oxide layers on TiFe hydrogenation: mechanistic insights and implications for hydrogen storage applications

Sample Efficient Reinforcement Learning with Active Learning for Molecular Design

Readily Accessible Strained Difunctionalized trans-Cyclooctenes with Fast Click and Release Capabilities

Hierarchically doped plasmonic nanocrystal metamaterials

Shapeshifting Antibiotics: Bullvalene Linked Vancomycin Dimers are Effective Against Multidrug-Resistant Gram-Positive Bacteria

Fluorescence-based Measurement of the Lewis Acidities of Lanthanide Triflates in Solution

56 results in Authors: Paul Thomas