2 papers
quant-ph2026
Hybrid HPC-Quantum Simulations: DFT-Quantum Embedding for Molecular Systems
Namrata Manglani, Samrit Maity, Shashank Sharma +4
Scientific simulations demand methods combining scalability with predictive accuracy. Density Functional Theory (DFT) on High-Performance Computing (HPC) enables large-scale electr…
quant-ph2026
Hybrid Quantum-Classical Density Functional Theory: A Structured Framework
Namrata Manglani, Samrit Kumar Maity, Shashank Sharma +2
Density Functional Theory (DFT) is widely used for atomistic simulations. However, its reach stays limited due to several limitations such as lack of accurate exchange-correlation…