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Plenary Speaker

Prof. Kim Jelfs

Imperial College London

Title: Remembering the Lab in Computational Molecular Materials Discovery

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Speakers

Fred Powell

Heriot-Watt University

Title: In Search of Enzyme Activation: A Computational Workflow for Evaluating Allosteric Drug Candidates

Daniel Storms

University of St Andrews

Title: Mechanistic Insights from DFT: Alkane Activation at an Iridium PONOP Complex in the Solid State

Dr Ieuan Seymour

University of Aberdeen

Title: Solid-state paramagnetic NMR calculations of next-generation battery materials

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