Publications by authors named "Jethro Akroyd"

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The digital lab manager: Automating research support.
Simon D Rihm, Yong Ren Tan, Wilson Ang, Markus Hofmeister, Xinhong Deng, Jethro Akroyd

SLAS Technol· June 2024

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Leveraging Text-to-Text Pretrained Language Models for Question Answering in Chemistry.
Dan Tran, Laura Pascazio, Jethro Akroyd, Sebastian Mosbach, Markus Kraft

ACS Omega· March 2024

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A dynamic knowledge graph approach to distributed self-driving laboratories.
Jiaru Bai, Sebastian Mosbach, Connor J Taylor, Dogancan Karan, Kok Foong Lee, Jethro Akroyd

Nat Commun· January 2024

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Chemical Species Ontology for Data Integration and Knowledge Discovery.
Laura Pascazio, Simon Rihm, Ali Naseri, Sebastian Mosbach, Jethro Akroyd

J Chem Inf Model· November 2023

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Marie and BERT-A Knowledge Graph Embedding Based Question Answering System for Chemistry.
Xiaochi Zhou, Shaocong Zhang, Mehal Agarwal, Jethro Akroyd, Sebastian Mosbach

ACS Omega· September 2023

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Knowledge Engineering in Chemistry: From Expert Systems to Agents of Creation.
Aleksandar Kondinski, Jiaru Bai, Sebastian Mosbach, Jethro Akroyd, Markus Kraft

Acc Chem Res· January 2023

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OntoPESScan: An Ontology for Potential Energy Surface Scans.
Angiras Menon, Laura Pascazio, Daniel Nurkowski, Feroz Farazi, Sebastian Mosbach, Jethro Akroyd

ACS Omega· January 2023

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Automated Rational Design of Metal-Organic Polyhedra.
Aleksandar Kondinski, Angiras Menon, Daniel Nurkowski, Feroz Farazi, Sebastian Mosbach, Jethro Akroyd

J Am Chem Soc· July 2022

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From Platform to Knowledge Graph: Evolution of Laboratory Automation.
Jiaru Bai, Liwei Cao, Sebastian Mosbach, Jethro Akroyd, Alexei A Lapkin

JACS Au· February 2022

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Predicting Power Conversion Efficiency of Organic Photovoltaics: Models and Data Analysis.
Andreas Eibeck, Daniel Nurkowski, Angiras Menon, Jiaru Bai, Jinkui Wu, Jethro Akroyd

ACS Omega· September 2021

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Question Answering System for Chemistry.
Xiaochi Zhou, Daniel Nurkowski, Sebastian Mosbach, Jethro Akroyd, Markus Kraft

J Chem Inf Model· August 2021

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Ï€-Diradical Aromatic Soot Precursors in Flames.
Jacob W Martin, Laura Pascazio, Angiras Menon, Jethro Akroyd, Katharina Kaiser

J Am Chem Soc· August 2021

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Automated Calibration of a Poly(oxymethylene) Dimethyl Ether Oxidation Mechanism Using the Knowledge Graph Technology.
Jiaru Bai, Rory Geeson, Feroz Farazi, Sebastian Mosbach, Jethro Akroyd

J Chem Inf Model· April 2021

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Reactivity of Polycyclic Aromatic Hydrocarbon Soot Precursors: Kinetics and Equilibria.
Angiras Menon, Jacob W Martin, Jethro Akroyd, Markus Kraft

J Phys Chem A· December 2020

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Multiscale Cross-Domain Thermochemical Knowledge-Graph.
Sebastian Mosbach, Angiras Menon, Feroz Farazi, Nenad Krdzavac, Xiaochi Zhou, Jethro Akroyd

J Chem Inf Model· December 2020

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Knowledge Graph Approach to Combustion Chemistry and Interoperability.
Feroz Farazi, Maurin Salamanca, Sebastian Mosbach, Jethro Akroyd, Andreas Eibeck

ACS Omega· July 2020

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OntoKin: An Ontology for Chemical Kinetic Reaction Mechanisms.
Feroz Farazi, Jethro Akroyd, Sebastian Mosbach, Philipp Buerger, Daniel Nurkowski

J Chem Inf Model· January 2020

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Optical band gap of cross-linked, curved, and radical polyaromatic hydrocarbons.
Angiras Menon, Jochen A H Dreyer, Jacob W Martin, Jethro Akroyd, John Robertson

Phys Chem Chem Phys· August 2019

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An Ontology and Semantic Web Service for Quantum Chemistry Calculations.
Nenad Krdzavac, Sebastian Mosbach, Daniel Nurkowski, Philipp Buerger, Jethro Akroyd

J Chem Inf Model· July 2019

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Improved methodology for performing the inverse Abel transform of flame images for color ratio pyrometry.
Jochen A H Dreyer, Radomir I Slavchov, Eric J Rees, Jethro Akroyd, Maurin Salamanca

Appl Opt· April 2019

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Polymorphism of nanocrystalline TiO prepared in a stagnation flame: formation of the TiO-II phase.
Manoel Y Manuputty, Jochen A H Dreyer, Yuan Sheng, Eric J Bringley, Maria L Botero, Jethro Akroyd

Chem Sci· February 2019

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First-Principles Thermochemistry for the Thermal Decomposition of Titanium Tetraisopropoxide.
Philipp Buerger, Daniel Nurkowski, Jethro Akroyd, Sebastian Mosbach, Markus Kraft

J Phys Chem A· July 2015

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