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Plenary Speaker
Prof. Kim Jelfs
Imperial College London
Title: Remembering the Lab in Computational Molecular Materials Discovery
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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