Bridging Chemistry, Computation, and Artificial Intelligence for Real-World Impact
The DigiChem Lab at the University of Mumbai focuses on integrating Computational Chemistry, Artificial Intelligence and data-driven approaches to solve complex chemical problems. Our work combines theoretical understanding with modern computational tools to develop efficient, scalable and intelligent solutions for chemical analysis and research. We develop cutting-edge platforms such as Spectral Hub which simplifies complex spectral data analysis and Q-Nebula which is an AI-powered quantum chemistry environment for molecular modelling and prediction. By combining chemometrics, quantum mechanics and machine learning, we aim to empower researchers, industries and academic institutions with intelligent tools that accelerate innovation and decision-making in chemistry.
Quantum chemical modeling of molecular systems and reaction mechanisms
Machine learning models for chemical prediction and data analysis
AI-based interpretation of IR, NMR, and Mass spectra
Digital tools for automating laboratory workflows
We are developing Spectral-Hub, an AI-powered platform that transforms spectral data into real-time chemical insights.
1.Advanced signal separation
2.Extracts chemical patterns
3.Handles mixed datasets
1.Automated data interpretation
2.Generates chemical insights
3.Predicts structures
1.AI-based simulation
2.Predicts unknown spectra
3.Analyzes new compounds
Q-Nebula, AI-Powered Quantum Chemistry Platform, Q-Nebula is a cloud-enabled computational chemistry platform that integrates quantum mechanical calculations with AI/ML models to deliver faster and more scalable molecular insights.
High-accuracy simulations for:-
1. Molecular structure optimization
2. Energy calculations (HOMO-LUMO, band gaps)
3. Reaction pathway analysis
Hybrid AI models trained on quantum data to:-
1. Predict molecular properties instantly
2. Reduce computational cost significantly
3. Enable high-throughput virtual screening
Faster and more efficient chemical analysis
Reduced cost and time in laboratory workflows
Integration of AI into chemical research
Training students in modern digital chemistry
Associate Professor
Department of Chemistry
University of Mumbai