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Theoretical and Computational Chemistry

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Omri Abarbanel

4 results in Authors: Omri Abarbanel

Theoretical and Computational Chemistry

Machine Learning to Accelerate Screening for Marcus Reorganization Energies

Omri Abarbanel, Geoffrey Hutchison

Version 2 posted 06 July 2021

715

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Theoretical and Computational Chemistry

QupKake: Integrating Machine Learning and Quantum Chemistry for micro-pKa Predictions

Omri Abarbanel, Geoffrey Hutchison

Version 1 posted 05 December 2023

864

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1

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Theoretical and Computational Chemistry

Strategies for Computer-Aided Discovery of Novel Open-Shell Polymers

Omri Abarbanel, Julisa Rozon, Geoffrey Hutchison

Version 1 posted 15 November 2021

255

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Theoretical and Computational Chemistry

Using Genetic Algorithms to Discover Novel Ground- State Triplet Conjugated Polymers

Omri Abarbanel, Geoffrey Hutchison

Version 1 posted 08 July 2022

304

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