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Harpriyaminhas/README.md

Hey 👋, I'm Harpriya Minhas!

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🎓 Glad to see you here!

PhD Scholar | IIT Indore | PMRF Fellow | Computational Materials Science & Machine Learning

I'm a PhD scholar at the Indian Institute of Technology Indore, working under Prof. Biswarup Pathak. My work sits at the intersection of computational materials science, quantum mechanics, and machine learning. I'm passionate about using data-driven approaches to accelerate the discovery of novel materials for applications in thermoelectrics phonon transport, and heterogeneous catalysis.


🔬 Research Focus

  • 🎯 Engineering materials Ultra-low thermal conductivity materials & anharmonic phonon transport
  • 🔥 Understanding anharmonic phonon scattering and low κ-lattice materials
  • ⚛️ High-throughput screening for thermoelectrics and catalysts
  • 🧠 Integration of DFT and ML methods for property prediction
  • 🧪 Descriptor-based analysis of electrocatalytic reactions (ORR, CO₂RR)
  • 🧬 Generative AI & Graph Neural Networks for inverse materials design

🧠 Languages and Tools


📢 Connect with Me

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Harpriyaminhas


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  1. Li-Cu-Ti-Chalcotitanates- Li-Cu-Ti-Chalcotitanates- Public

    Rattling Induced Bonding Hierarchy in Li-Cu-Ti Chalcotitanates for Enhanced Thermoelectric Efficiency: A Machine Learning Potential Approach

    OpenEdge ABL 2

  2. SCALP-Thermal-Conductivity SCALP-Thermal-Conductivity Public

    Jupyter Notebook 1

  3. CHGNet_Thermal_condutivity CHGNet_Thermal_condutivity Public

    Python

  4. uMLIP_thermal_conductivity uMLIP_thermal_conductivity Public

    Python 3