5 papers
Circuit Depth Compression via Spectral Gap Amplification in Quantum Phase Estimation
Sk Mujaffar Hossain, Satadeep Bhattacharjee
We show that quantum phase estimation (QPE) circuits can be significantly compressed in depth by preprocessing the input operator with a sigmoid spectral filter before estimation.…
Filtered Spectral Projection for Quantum Principal Component Analysis
Sk Mujaffar Hossain, Satadeep Bhattacharjee
Quantum principal component analysis (qPCA) is commonly formulated as the extraction of eigenvalues and eigenvectors of a covariance-encoded density operator. Yet in many qPCA sett…
Quantum Simulations of Battery Electrolytes with VQE-qEOM and SQD: Active-Space Design, Dissociation, and Excited States of LiPF, NaPF, and FSI Salts
Sk Mujaffar Hossain, Seung-Cheol Lee, Satadeep Bhattacharjee
Accurate prediction of excited states in battery electrolytes is central to understanding photostability, oxidative stability, and degradation. We employ hybrid quantum-classical a…
Tunable Thermal Expansion in Functionalized 2D Boron Nitride: A First-Principles Investigation
Sk Mujaffar Hossain, Dobin Kim, Jaehyun Park +2
This study investigates the thermal expansion coefficient of two-dimensional (2D) functionalized boron nitride (f-BN) materials using first-principles density functional theory (DF…
Integrating Density Functional Theory with Deep Neural Networks for Accurate Voltage Prediction in Alkali-Metal-Ion Battery Materials
Sk Mujaffar Hossain, Namitha Anna Koshi, Seung-Cheol Lee +2
Accurate prediction of the voltage of battery materials plays a pivotal role in the advancement of energy storage technologies and the rational design of high-performance cathode m…