arXiv subjects

Abdul Kalam

Publications and source records attributed to Abdul Kalam.

4 recordsLinked to original sources

arXiv2026

Quantum computer-based simulation of Stark many-body localization in a 1D Fermi-Hubbard model

Many-body localization (MBL) is a dynamical phenomenon that describes the non-ergodicity of isolated quantum many-body systems. In contrast to thermalization, this phenomenon leads to a long-lived memory of initial states of local systems and slow growth of entanglement. In this work, we study Stark MBL in a 12-qubit correlated fermionic system described by the one-dimensional Fermi-Hubbard model using Hamiltonian simulation on an IBM superconducting qubit quantum computer. To enable such a computation on current-day noisy hardware, we combine a series of compilation steps, including the use of the spin-resolved Jordan-Wigner transformation, employing SWAP networks, and integrating a tensor-network-based quantum circuit optimization routine on top of a standard circuit optimization pipeline. As a result, there is approximately an 88$\%$ and 87$\%$ reduction in two-qubit gate count and circuit depth, respectively. Through such simulations of the real-time dynamics using Trotterized quantum circuits, we exhibit a crossover from thermalizing dynamics of the system at a weak tilt of the field to a strongly localized behavior at large tilt with short evolution times. We also benchmark our obtained results with respect to those from exact simulations.

quant-ph↗

arXiv2026

Resource-efficient quantum-selected configuration interaction for molecular properties

The quantum-selected configuration interaction identifies important determinantal basis functions through real-time evolution of a reference wavefunction and diagonalizing the Hamiltonian matrix in the resulting selected subspace. However, implementing the full electronic Hamiltonian on noisy quantum devices leads to rapidly increasing circuit complexity, limiting its scalability. To address this issue, we identify the dominant fermionic excitation operators and perform reference-state fidelity loss analysis to construct a compact Hamiltonian, reducing computational overhead while retaining high precision. Applied to Group IIIA monofluorides (BF, AlF, GaF, InF, and TlF), the proposed framework achieves a near-quadratic improvement in Hamiltonian-term scaling, enabling resource-efficient simulations. We employ this framework to compute the relativistic ground-state energies and permanent electric dipole moments (PDMs) of the systems under consideration. After validating the framework via simulations, we demonstrate hardware execution for AlF and TlF on the IBM Marrakesh processor using active spaces of up to 20 qubits. For a 20-qubit TlF system, the reduced Hamiltonian yields a reduction of higher than $ 98\%$ in both circuit depth and two-qubit gate counts, with the resulting PDMs from quantum hardware matching complete active space configuration interaction values within $99.99\%$. These results demonstrate the scalability of this approach on noisy intermediate-scale quantum devices.

quant-ph↗

arXiv2025

Efficient Quantum Information-Inspired Ansatz for Variational Quantum Eigensolver Algorithm: Applications to Atomic Systems

We present a quantum information-inspired ansatz for the variational quantum eigensolver (VQE) and demonstrate its efficacy in calculating ground-state energies of atomic systems. Instead of adopting a heuristic approach, we start with an approximate multi-qubit target state and utilize two quantum information-theoretic quantities, i.e., von Neumann entropy and quantum mutual information, to construct our ansatz. The quantum information encoded in the target state helps us to design unique blocks and identify qubit pairs that share maximum quantum correlations among them in the multi-qubit system, thereby enabling us to deterministically place two-qubit entanglers in the suitably constructed parametrized quantum circuit. We find that our approach has the advantage of reduced circuit depth compared to the unitary coupled-cluster (UCC) ansatz (the gold standard for VQE), and yet yields accurate results. To test the performance of our ansatz, we apply it to compute ground-state energies of atomic systems. We find that for up to 12 qubits (or 12 spin orbitals) noiseless calculation, the proposed ansatz yields energies with 99.99% accuracy relative to the complete active space configuration interaction values, while utilizing only two blocks, which contain at most 99% fewer 2-qubit gates than the UCC ansatz.

quant-ph↗

arXiv2023

Study of the Bound State, Electron-Detachment Energy and Reactivity of Hydride Ion using Variational Quantum Eigensolver

The accurate prediction and understanding of molecular energy and chemical reactivity are fundamental pursuits in the field of molecular quantum chemistry. With the limitations of the current noisy intermediate scale quantum computer (NISQ) era, the Variational Quantum Eigensolver (VQE) algorithm offers a promising approach to efficiently estimate the stable energy state of a given molecule. This study is focused on predicting the ground state and single electron detachment energy of the hydride ion because of its high electron electron correlation and numerous applications in astrophysics and quantum chemistry. The hydride ion is the first three body quantum problem for which the ground state energy has been calculated theoretically using the Chandrasekhar Wavefunction, which takes high electron-electron correlation into account. For the calculation of hydride ion, we used the VQE algorithm with two types of quantum computational ansatz, (i) chemistry inspired ansatz based on unitary CC (UCC) and (ii) hardware efficient based ansatz (HEA). To check the versatility of the algorithm, we analyzed two proton transfer reactions involving the hydride ion and finds the energy to be exothermic with a much improved result compared to previous studies. Overall, the VQE algorithm with a quantum computational approach is found to be reliable in calculating stable state energy, single electron detachment energy, and reaction energy for proton transfer reactions involving a highly correlated molecule with a low relative percentage error.

physics.chem-ph↗