7 papers · 1 filter
An Analytically Trained Variational Surrogate for Quantum Phase Estimation on NISQ Hardware
Mousumi Kundu, Ashish Kumar Patra, Anurag K. S. V. +4
Quantum Phase Estimation (QPE) is a foundational algorithm for molecular ground-state energy estimation, but its deep circuit requirements make direct hardware execution impractica…
Machine-Learned Compact Subspace Generation for Quantum Selected Configuration Interaction within Density Matrix Embedding Framework
Ashish Kumar Patra, Anurag K. S. V., Ruchika Bhat +3
Sample-based Quantum Diagonalization (SQD), an extension of Quantum Selected Configuration Interaction (QSCI), has emerged as a promising hybrid quantum-classical paradigm for comp…
Bridging the NISQ and Fault-Tolerant Regimes: Generative-ML-Assisted Quantum Selected CI for Molecular Simulations
Anurag K. S. V.
Calculation of binding energies for protein-ligand molecular systems requires accurate treatment of the electronic structure, a quantum chemistry problem that scales exponentially…
Towards Chemically Accurate and Scalable Quantum Simulations on IQM Quantum Hardware: A Quantum-HPC Hybrid Approach
Anurag K. S. V., Ashish Kumar Patra, Manas Mukherjee +5
We present a large-scale experimental study of quantum-computing-based molecular simulation carried out on IQM's Sirius 24-qubit superconducting processor, utilizing up to 16 opera…
A Polylogarithmic-Time Quantum Algorithm for the Laplace Transform
Akash Kumar Singh, Ashish Kumar Patra, Anurag K. S. V. +3
We introduce a quantum algorithm to perform the Laplace transform on quantum computers. Already, the quantum Fourier transform (QFT) is the cornerstone of many quantum algorithms,…
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…