Integrating MD simulations, physically derived scattering models, Bayesian model selection and polarisation analysis allows QENS to resolve anisotropic rotational diffusion in liquid benzene with stronger anisotropy than prior models indicated.
J.; Koˇ sata, J.; Devonport, M.; Galsworthy, P.; Bewley, R
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Lost in Translation: Simulation-Informed Bayesian Inference Improves Understanding of Molecular Motion From Neutron Scattering
Integrating MD simulations, physically derived scattering models, Bayesian model selection and polarisation analysis allows QENS to resolve anisotropic rotational diffusion in liquid benzene with stronger anisotropy than prior models indicated.