4 papers
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…
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…
Geometric and Quantum Kernel Methods for Predicting Skeletal Muscle Outcomes in chronic obstructive pulmonary disease
Azadeh Alavi, Hamidreza Khalili, Stanley H. Chan +3
Chronic obstructive pulmonary disease (COPD) affects hundreds of millions of people worldwide, and skeletal-muscle dysfunction is clinically important. Quantum machine learning is…
Quantum Kernel Learning for Small Dataset Modeling in Semiconductor Fabrication: Application to Ohmic Contact
Zeheng Wang, Fangzhou Wang, Liang Li +5
Modeling complex semiconductor fabrication processes such as Ohmic contact formation remains challenging due to high-dimensional parameter spaces and limited experimental data. Whi…