9 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…
Advancing Practical Quantum Embedding Simulations via Operator Commutativity Based State Preparation for Complex Chemical Systems
Dibyendu Mondal, Ashish Kumar Patra, Rahul Maitra
Determining the exponentially scaled ground state wavefunction and the associated molecular properties remains one of the central challenges in quantum chemistry. Hybrid quantum-cl…
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…
Fractional Revival Dynamics in Kerr-Type Systems: Angular Momentum Moments and Classical Analogs
Ashish Kumar Patra, Saikumar Krithivasan
Wave packet revivals and fractional revivals are hallmark quantum interference phenomena that arise in systems with nonlinear energy spectra, and their signatures in expectation va…
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…
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…