Introduces the eigenwalk problem and proves a linear-diameter support-localization theorem for sparse eigenvectors, yielding poly(n)-time classical exact diagonalization for O(1)-sparse extremal eigenvectors of poly(n)-sparse 2^n-dimensional Hamiltonians.
2511.14734 , archivePrefix=
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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.
COO co-optimizes orbitals with TrimCI to absorb many-body correlations into the basis, cutting determinant count by orders of magnitude for iron-sulfur clusters versus localized bases or DMRG.
Tensor network calculation of magic and entanglement in SU(2) lattice gauge theory ground state shows a crossover from magic-rich to less-magic regime at g_star.
Improving broken-symmetry trial wavefunctions in phaseless AFQMC for Fe-S clusters can worsen energy accuracy until high fidelity, linked to measurement trial selection and suggesting error cancellation in HF-based results.
citing papers explorer
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Polynomial-time exact diagonalization via sparse guided eigenwalks
Introduces the eigenwalk problem and proves a linear-diameter support-localization theorem for sparse eigenvectors, yielding poly(n)-time classical exact diagonalization for O(1)-sparse extremal eigenvectors of poly(n)-sparse 2^n-dimensional Hamiltonians.
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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.
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Absorbing Many-Body Correlations into Core-Optimized Orbitals
COO co-optimizes orbitals with TrimCI to absorb many-body correlations into the basis, cutting determinant count by orders of magnitude for iron-sulfur clusters versus localized bases or DMRG.
-
Magic and entanglement in 1+1-dimensional SU(2) lattice gauge theory
Tensor network calculation of magic and entanglement in SU(2) lattice gauge theory ground state shows a crossover from magic-rich to less-magic regime at g_star.
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Can phaseless auxiliary-field quantum Monte Carlo with broken symmetry trials describe iron-sulfur clusters?
Improving broken-symmetry trial wavefunctions in phaseless AFQMC for Fe-S clusters can worsen energy accuracy until high fidelity, linked to measurement trial selection and suggesting error cancellation in HF-based results.