591 citations · 7k across the 113 of their papers we have counts for
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Excited state calculations in solids by auxiliary-field quantum Monte Carlo
Fengjie Ma, Shiwei Zhang, Henry Krakauer
We present an approach for ab initio many-body calculations of excited states in solids. Using auxiliary-field quantum Monte Carlo, we introduce an orthogonalization constraint to…
Ab Initio Many-body Study of Cobalt Adatoms Adsorbed on Graphene
Yudistira Virgus, Wirawan Purwanto, Henry Krakauer +1
Many recent calculations have been performed to study a Co atom adsorbed on graphene, with significantly varying results on the nature of the bonding. We use auxiliary-field quantu…
Finite-Temperature Auxiliary-Field Quantum Monte Carlo for Bose-Fermi Mixtures
Brenda M. Rubenstein, Shiwei Zhang, David R. Reichman
We present a quantum Monte Carlo (QMC) technique for calculating the exact finite-temperature properties of Bose-Fermi mixtures. The Bose-Fermi Auxiliary-Field Quantum Monte Carlo…