Chem.Engg. R Kumar Distinguished Award Lecture Series. talk-1-Prof. Arthi Jayaraman

Machine Learning Based Computational Methods For Analysing Small Angle Scattering Data from Soft Materials.

In this talk, I will share the recent developments we have made with Computational Reverse Engineering Analysis of Scattering Experiments (CREASE) [e.g., 1-2] and its applications to interpret data from small angle scattering. CREASE takes as input experimentally measured 1D or 2D scattering profiles and uses genetic algorithm to output the distributions of key structural features as well as representative 3D real space structures whose computed scattering profiles match the experimental scattering input. I will demonstrate in my talk a few examples of how CREASE and CREASE-2D have been used to understand SAXS patterns from our experimental collaborators (e.g., 2, 4), that were otherwise difficult to interpret with existing analytical models. https://sites.udel.edu/arthij/crease/