3 papers
physics.chem-ph2026
Multistate iterative qubit coupled cluster (MS-iQCC): a quantum-inspired, state-averaged approach to ground- and excited-state energies
Robert A. Lang, Shashank G. Mehendale, Ilya G. Ryabinkin +1
We introduce the multistate iterative qubit coupled cluster (MS-iQCC) method, a quantum-inspired algorithm that runs efficiently on classical hardware and is designed to predict bo…
physics.chem-ph2025
Estimating Trotter Approximation Errors to Optimize Hamiltonian Partitioning for Lower Eigenvalue Errors
Shashank G. Mehendale, Luis A. MartÃnez-MartÃnez, Prathami Divakar Kamath +1
Trotter approximation in conjunction with Quantum Phase Estimation can be used to extract eigen-energies of a many-body Hamiltonian on a quantum computer. There were several ways p…
quant-ph2024
Ground and excited state energy calculations of the H2 molecule using a variational quantum eigensolver algorithm on an NMR quantum simulator
Dileep Singh, Shashank Mehendale, Arvind +1
Variational quantum algorithms are emerging as promising candidates for near-term practical applications of quantum information processors, in the field of quantum chemistry. We im…