arXiv subjects

Jayakrushna Sahoo

Publications and source records attributed to Jayakrushna Sahoo.

3 recordsLinked to original sources

arXiv2026

On Performance and Limitations of NISQ Hardware for Simulations of Quantum Wave Packet Dynamics

Digital quantum simulation offers a promising route for studying quantum dynamics, but efficient operator representations and circuit depth remain key challenges for near-term hardware. We investigate one-dimensional wave packet dynamics using a grid-based encoding of the wave function onto qubit registers. Time evolution is implemented via split-operator approach, with kinetic energy operator applied using Quantum Fourier Transform (QFT) with polynomial scaling and potential energy operator expressed through commuting Pauli-Z gates, improving accuracy and enabling incorporation of arbitrary discretized potentials. While the full Pauli decomposition of Hamiltonian scales exponentially as O(4^n ), the present approach reduces the operator scaling to O(2^n) for n qubits. We benchmark this approach on classical simulators and quantum hardware (IBM Quantum and IonQ) for two- to five-qubit implementations. For two- and three-qubit cases, all platforms qualitatively reproduce the benchmarked dynamics; at larger qubit counts, the IBM results deviate more strongly, whereas IonQ remains closer to the benchmark.

quant-ph↗

arXiv2025

Reaction Dynamics of the H + HeH$^+$ $\rightarrow$ He + H$_2^+$ System

The reaction dynamics for the H + HeH$^+$ $\rightarrow$ He + H$_2^+$ reaction in its electronic ground state is investigated using two different representations of the potential energy surface (PES). The first uses a combined kernel and neural network representation of UCCSD(T) reference data whereas the second is a corrected PES (cR-PES) that eliminates an artificial barrier in the entrance channel appearing in its initial expansion based on full configuration interaction reference data. Despite the differences between the two PESs, both yield $k_{v=0,j=0} \approx 2 \times 10^{-9}$ cm$^3$/molecule/s at $T = 10$ K which is consistent with a $T-$independent Langevin rate $k_{\rm L} = 2.1 \times 10^{-9}$ cm$^3$/molecule/s but considerably larger than the only experimentally reported value $k_{\rm ICR} = (9.1 \pm 2.5) \times 10^{-10}$ cm$^3$/molecule/s from ion cyclotron resonance experiments. Similarly, branching ratios for the reaction outcomes are comparable for the two PESs. However, when analysing less averaged properties such as initial state-selected $T-$dependent rate coefficients and final vibrational states of the H$_2^+$ product for low temperatures, the differences in the two PESs manifest themselves in the observables. Thus, depending on the property analyzed, accurate and globally valid representations of the PES are required, whereas more approximate and empirical construction schemes can be followed for state-averaged observables.

physics.chem-ph↗

arXiv2014

An Algorithm for Mining High Utility Closed Itemsets and Generators

Traditional association rule mining based on the support-confidence framework provides the objective measure of the rules that are of interest to users. However, it does not reflect the utility of the rules. To extract non-redundant association rules in support-confidence framework frequent closed itemsets and their generators play an important role. To extract non-redundant association rules among high utility itemsets, high utility closed itemsets (HUCI) and their generators should be extracted in order to apply traditional support-confidence framework. However, no efficient method exists at present for mining HUCIs with their generators. This paper addresses this issue. A post-processing algorithm, called the HUCI-Miner, is proposed to mine HUCIs with their generators. The proposed algorithm is implemented using both synthetic and real datasets.

cs.DB↗