From the 1 of 9 linked papers with an AI index.
9 papers
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…
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
The paper presents large‑scale experiments on IQM’s 24‑qubit superconducting processor, using up to 16 qubits and sample‑based quantum diagonalization with various ansätze to compu…
Bridging the NISQ and Fault-Tolerant Regimes: Generative-ML-Assisted Quantum Selected CI for Molecular Simulations
Anurag K. S. V., Ashish Kumar Patra, Manas Mukherjee +4
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…
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…