Centre for Computational and Data Sciences

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Exploring Data-Driven Predictive Analytics for Industrial Digital Twins

De, Suman (IIT Kharagpur, 2026-01)
Hybrid Quantum-Classical Algorithms for Quantum Chemistry

Singh, Harshdeep (IIT Kharagpur, 2025-11)
Mechanistic Insights into Supramolecular Polymerization: Non-Covalent Interactions, Solvent Influence, and Impact of Moiety

Sahu, Rahul (IIT Kharagpur, 2025-07)
A Multi-Block Multi-Mesh Immersed Boundary Method with GPU Optimization

Kumar, Debajyoti (IIT Kharagpur, 2025-06)
Exploring the Conformational and Interfacial Properties of Amyloid-Β Peptides in Monomeric and Oligomeric States in Aqueous Ionic Liquid Solutions

Sahoo, Subhadip (IIT Kharagpur, 2025-06)