most citedQuantum Kernel Learning for Small Dataset Modeling in Semiconductor Fabrication: Application to Ohmic Contact

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physics.chem-ph2026

A Givens-exchange ansatz for molecular variational eigensolvers

Azadeh Alavi, Fatemeh Kouchmeshki, Muhammad Usman +4

Molecular ground-state energies help determine conformer rankings, reaction energetics, and electronic effects in computational drug discovery, but accurate calculations become dif…

physics.chem-ph2026

QBioFusion-QSAR: Morgan-Anchored Quantum Multiple Kernel Learning for Small-Data Ligand Classification

Azadeh Alavi, Fatemeh Kouchmeshki, Muhammad Usman +1

Small quantitative structure-activity relationship (QSAR) studies are difficult when close molecular analogues have different activity labels. This paper asks whether a quantum ker…