551 citations · 1.3k across the 37 of their papers we have counts for
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Quantum Algorithms for Photoreactivity in Cancer-Targeted Photosensitizers
Yanbing Zhou, Pablo A. M. Casares, Diksha Dhawan +5
Photodynamic therapy (PDT) is a targeted cancer treatment that uses light-activated photosensitizers to generate reactive oxygen species that selectively destroy tumor cells, gener…
Quantum compilation framework for data loading
Guillermo Alonso-Linaje, Utkarsh Azad, Jay Soni +3
Efficient encoding of classical data into quantum circuits is a critical challenge that directly impacts the scalability of quantum algorithms. In this work, we present an automate…
Quantum Simulation of Electron Energy Loss Spectroscopy for Battery Materials
Alexander Kunitsa, Diksha Dhawan, Stepan Fomichev +3
The dynamic structure factor (DSF) is a central quantity for interpreting a vast array of inelastic scattering experiments in chemistry and materials science, but its accurate simu…
Trotter simulation of vibrational Hamiltonians on a quantum computer
Shreyas Malpathak, Sangeeth Das Kallullathil, Ignacio Loaiza +3
Simulating vibrational dynamics is essential for understanding molecular structure, unlocking useful applications such as vibrational spectroscopy for high-fidelity chemical detect…
Quantum algorithms to detect ODMR-active defects for quantum sensing applications
Pablo A. M. Casares, Yanbing Zhou, Utkarsh Azad +6
Spin defects in two-dimensional materials are a promising platform for quantum sensing. Simulating the defect's optical response and optically detected magnetic resonance (ODMR) co…
Fast simulations of X-ray absorption spectroscopy for battery materials on a quantum computer
Stepan Fomichev, Pablo A. M. Casares, Jay Soni +5
X-ray absorption spectroscopy (XAS) is a leading technique for understanding structural changes in advanced battery materials such as lithium-excess cathodes. However, extracting c…