AI coding agents evolve simple ground-state protocols into improved versions for VQE, DMRG, and AFQMC on spin models and molecules by using executable energy scores under fixed compute budgets.
Auxiliary-field quantum Monte Carlo calculations of molecular systems with a Gaussian basis
2 Pith papers cite this work, alongside 85 external citations. Polarity classification is still indexing.
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A few hundred optimized non-orthogonal Slater determinants achieve lower variational energies than CCSD(T) for several molecules in double-zeta basis via an exact iterative orbital optimization and fourth-power scaling tensor contraction.
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Optimizing ground state preparation protocols with autoresearch
AI coding agents evolve simple ground-state protocols into improved versions for VQE, DMRG, and AFQMC on spin models and molecules by using executable energy scores under fixed compute budgets.
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Precise Quantum Chemistry calculations with few Slater Determinants
A few hundred optimized non-orthogonal Slater determinants achieve lower variational energies than CCSD(T) for several molecules in double-zeta basis via an exact iterative orbital optimization and fourth-power scaling tensor contraction.