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quant-ph2026
Quantum Simulation of Ligand-like Molecules through Sample-based Quantum Diagonalization in Density Matrix Embedding Framework
Ashish Kumar Patra, Anurag K. S. V., Sai Shankar P. +4
The accurate treatment of electron correlation in extended molecular systems remains computationally challenging using classical electronic structure methods. Hybrid quantum-classi…
quant-ph2026
Resource Estimation for VQE on Small Molecules: Impact of Fermion Mappings and Hamiltonian Reductions
Anurag K. S. V., Ashish Kumar Patra, Vikas Dattatraya Ghevade +5
Accurate determination of ground-state energies for molecules remains a challenge in quantum chemistry and a cornerstone for progress in fields such as drug discovery and materials…