Connecting Modeling, Simulations, and Machine Learning with Experiments for Soft Materials Design - Structure-Property Relationships

Connecting Modeling, Simulations, and Machine Learning with Experiments for Soft Materials Design - Structure-Property Relationships

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Intro

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1 of 18

Intro

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Connecting Modeling, Simulations, and Machine Learning with Experiments for Soft Materials Design - Structure-Property Relationships

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  1. 1 Intro
  2. 2 Connecting molecular modeling, simulations, & machine le
  3. 3 Jayaraman lab studies soft materials polymers, colloids, pa
  4. 4 Our tools: Molecular modeling, simulations, theory, & machin
  5. 5 Focus of today's talk
  6. 6 Structural Characterization of Soft Materials using Small Angl
  7. 7 Computational Reverse Engineering Analysis of Scattering Ex
  8. 8 CREASE Step 1: Genetic algorithm (GA)
  9. 9 How machine learning has helped CREASE
  10. 10 CREASE for analyzing vesicles' structure
  11. 11 CREASE vs. SASVIEW fit with core-multi-shell mode vesicles with dispersity in all relevant dimensions
  12. 12 CREASE: Step 2: Molecular reconstruction within GA informed
  13. 13 CREASE applied to fibrillar structures in amphiphilic polym
  14. 14 Methylcellulose and its unique phase behavior in aqueous s
  15. 15 Dimensions from SAXS data analyzed by CREASE vs. analytical
  16. 16 CREASE applied to SAXS on synthesized spherical particle
  17. 17 Predict color for CREASE's reconstructed structure
  18. 18 'PairVAE' for Pairing Structural Characterization Data Complementary Techniques

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