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20232026
most citedCrossing the 12,000-atom barrier with heterogeneous quantum-classical supercomputing: quantum chemistry of protein-ligand complexes

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quant-ph2026★ 1 cited

Crossing the 12,000-atom barrier with heterogeneous quantum-classical supercomputing: quantum chemistry of protein-ligand complexes

Kenneth M. Merz, Akhil Shajan, Danil Kaliakin +21

We develop a workflow decomposing a molecule into fragments via quantum embedding and simulating them with a heterogeneous quantum-classical (HQC) method. We sample fragment electr…

quant-ph2025

Quantum conditional mutual information as a probe of measurement-induced entanglement phase transitions

Yuichi Otsuka, Kazuhiro Seki, Seiji Yunoki

We propose that the quantum conditional mutual information (QCMI), computed with a suitably chosen partition of the system, serves as a powerful probe for detecting measurement-ind…