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20062020
most citedStructural and chemical embrittlement of grain boundaries by impurities: a general theory and first principles calculations for copper

158 citations · 423 across the 4 of their papers we have counts for

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physics.comp-ph2019★ 78 cited

Unbiasing the initiator approximation in Full Configuration Interaction Quantum Monte Carlo

Khaldoon Ghanem, Alexander Y. Lozovoi, Ali Alavi

We identify and rectify a crucial source of bias in the initiator FCIQMC algorithm. Non-initiator determinants (i.e. determinants whose population is below the initiator threshold)…