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20242026
most citedCrossing the 12,000-atom barrier with heterogeneous quantum-classical supercomputing: quantum chemistry of protein-ligand complexes

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cs.LG2024

Integrating Machine Learning and Quantum Circuits for Proton Affinity Predictions

Hongni Jin, Kenneth M. Merz

A key step in interpreting gas-phase ion mobility coupled with mass spectrometry (IM-MS) data for unknown structure prediction involves identifying the most favorable protonated st…