I'm Shuvam — a BS-MS student at IISER Kolkata pursuing Chemistry with a Computer Science minor. My research focuses on computational chemistry, information retrieval systems, and AI-driven solutions for scientific challenges. I've developed advanced RAG architectures for verifiable answer synthesis, engineered retrieval models for TREC competitions, and conducted DFT computational modeling of catalysts.
My work spans molecular dynamics simulations to full-stack application development using Python, Java, C, and modern web frameworks. I'm passionate about interdisciplinary research that bridges computational methods with scientific discovery.
// Computational
// Programming
// AI / ML
// Tools
Comprehensive RAG pipeline for IISER-K intranet with automated data acquisition, OCR processing, and hybrid search combining dense vector retrieval with BM25 for verifiable answer synthesis.
Multi-layer BM-25 filtering with dynamic search-domain contraction and transformer-based query expansion using Local LLMs for TREC 2024 Tip-of-Tongue track. Published in TREC proceedings.
DFT methods (B3LYP) for MO energy calculations and electronic structure analysis of [VO(SALIEP)(DTP)] as water-reducing catalyst using Gaussian 16 and transition state theory.
Complete GUI application in C using GTK4 and Glade, with SQLite3 database management and optimized BM25-based retrieval for NLP chatbot functionality on desktop Linux.
Computational analysis of protein-ligand interactions and conformational dynamics using molecular dynamics simulations, with visualization pipelines built on PyMOL and custom Python tooling.
Explore more projects including open-source chemistry tools, web applications, and research code repositories.
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