A heterogeneous quantum-classical method simulates protein-ligand complexes of 11,608 and 12,635 atoms with fragment energies matching coupled-cluster accuracy, achieving over 40 times larger systems and up to 210 times better accuracy than prior work.
Quantum-centric compu- tation of molecular excited states with extended sample-based quantum diagonalization,
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
quant-ph 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Crossing the 12,000-atom barrier with heterogeneous quantum-classical supercomputing: quantum chemistry of protein-ligand complexes
A heterogeneous quantum-classical method simulates protein-ligand complexes of 11,608 and 12,635 atoms with fragment energies matching coupled-cluster accuracy, achieving over 40 times larger systems and up to 210 times better accuracy than prior work.