Poster presentations
CO 2 capture via oxalate formation in metal-decorated graphene Inioluwa Afolabi University of Cambridge, UK Zwitterions modulate interfacial interactions across electrolyte solutions Kieran Agg University of Oxford, UK Feature identification in molybdenum carbides: graph neural networks vs. human empirical search – who’s the winner? Eduardo Aguilar Bejarano University of Nottingham, UK Implementing a data driven pipeline for supramolecular drug design - challenges and FAIR practices Thomas Allam University of Southampton, UK Operando x-ray absorption & inelastic neutron scattering studies of novel thermoelectric metal-organic-frameworks Rob Clarke University of Southampton, UK Simulating nonadiabatic dynamics using the Meyer-Miller-Stock-Thoss Hamiltonian: a comparison of algorithms Lauren Cook University College London, UK Computational treatment of lanthanide dopants in oxides by DFT with Hubbard corrections Dan Criveanu University of Nottingham, UK The conformational preference of 2-ethylthiazole and its weakly bound complexes with water revealed by microwave spectroscopy Charlotte Cummings Newcastle University, UK
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