Jay Shah

Jay Shah

जय शाह

Simulation and machine learning for polymers

Publications

Papers

  1. S. Akepati#, N. Gupta#, J. Shah#, S. Kronenberger, V. Venkat, R. Adhikari, S. Bianco, D. Adams, A. Jayaraman*, Machine‐Learning‐Based CREASE‐2D Analysis of 2D SAXS Profiles to Characterize Anisotropic Nanostructures in Soft Materials. ACS Measurement Science Au, 2025 Paper
  2. Y. Saxena#, P. Lin#, J. Shah#, T. Asamoah, G. Arya, A. Jayaraman, T. Segura*, Factorial Data-Driven Inverse Design of Granular Hydrogels for Targeted Therapeutic Release. NeurIPS AI4MAT Workshop, 2025 Paper
  3. J. Shah, A. Jayaraman*, Coarse‐grained molecular dynamics simulations of mixtures of polysulfamides. RSC Applied Polymers, 2025, 3, 453‐468 Paper
  4. C. Ghoroi, J. Shah#, D. Thakar#, S. Baheti#, Process design & economics of production of p‐Aminophenol. arXiv, 2021 Paper

Talks & Posters

  1. J. Shah, Z. Wu, A. Jayaraman*, Understanding Self-Assembly of Polysulfamides from Molecular Dynamics Simulations Using Atomistically-Informed Coarse Grained Models. AIChE Annual Meeting, 2024 Talk
  2. J. Shah, A. Jayaraman*, 3-minute research presentation. Duke University, 2024
  3. J. Shah#, A. Paruchuri#, L. Nagidi, S. Lu, A. Jayaraman, Linking Polysulfamide Design to Morphology Using Molecular Simulation and Machine Learning. APS March Meeting, 2024 Poster
  4. J. Shah, Z. Wu, A. Jayaraman*, Computational Studies to Understand the Effect of Polysulfamide Designs on Structure and Properties. MRS Fall Meeting, 2023 Talk

# equal contribution  ·  * corresponding author

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