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pranoy-ray/README.md

Computational Materials & Data Scientist specializing in Materials Informatics using Bayesian statistics for multiscale modeling. Expertise includes developing efficient feature engineering methods for robust materials process-structure-property relationships, and integrating physics-based constraints with data-driven AI/ML models on HPC systems. Innovative R&D professional with a track record of driving technical deliverables and leading diverse teams in fast-paced research environments. Presently a final year PhD candidate, expecting to graduate in May 2026 (Spring).

Important Links

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  1. screenPFAS screenPFAS Public

    Rapid screening: degradation-relevant properties of forever chemicals

    Jupyter Notebook 2

  2. AlloyDiscovery AlloyDiscovery Public

    Electronic manifolds for extrapolative alloy discovery

    Python

  3. LeanCNN LeanCNN Public

    Lean CNNs for mapping Electron Charge Density fields to material properties (S-P linkages for Density Functional Theory data)

    Jupyter Notebook

  4. ForestFiresModeling ForestFiresModeling Public

    The simulation of forest fires using Partial Differential Equation (PDE) and Agent-Based Modeling (ABM) methods. The wildfire propagation dynamics and their interaction with environmental factors (…

    Jupyter Notebook 2