5 papers · 1 filter
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…
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…
Assessing Finite Scalability in Early Fault-Tolerant Quantum Computing for Homogeneous Catalysts
Yanbing Zhou, Athena Caesura, Corneliu Buda +3
As quantum hardware advances toward fault-tolerant operation, an intermediate stage known as early fault-tolerant quantum computing (EFTQC) is emerging, where partial error correct…
QB Ground State Energy Estimation Benchmark
Nicole Bellonzi, Joshua T. Cantin, Mohammad Reza Jangrouei +14
Ground State Energy Estimation (GSEE) is a central problem in quantum chemistry and condensed matter physics, demanding efficient algorithms to solve complex electronic structure c…
Feasibility of accelerating homogeneous catalyst discovery with fault-tolerant quantum computers
Nicole Bellonzi, Alexander Kunitsa, Joshua T. Cantin +16
The industrial manufacturing of chemicals consumes a significant amount of energy and raw materials. In principle, the development of new catalysts could greatly improve the effici…