AI-based Chat Agent for Device Simulations

As computational materials science evolves, simulating spintronic devices and 2D materials requires highly specialized AI models. My current project focuses on training BERT and GPT models to create:

1️⃣ A fine-tuned BERT-based model for understanding and processing scientific data
2️⃣ A GPT-based conversational assistant trained to assist researchers in providing insights, calculations, and relevant literature suggestions.

🧠 Technical Details

Fine-Tuned BERT for 2D Materials

  • Data Collection: Compiled a large corpus of scientific literature, equations, and device simulation results related to TMDs, spintronic devices, and quantum materials.
  • Preprocessing & Tokenization:
    • Domain adaptation
    • Applied custom tokenization to recognize material-specific terms and equations.
  • Fine-Tuning Approach:
    • Trained for relation extraction and context-aware tagging of materials properties.

AI Chat Agent – GPT for Device Simulations

  • Model Adaptation: Trained GPT-3.5/4 using scientific papers, simulation logs, and experimental data.
  • Knowledge Integration