440 citations · 1.7k across the 25 of their papers we have counts for
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cs.DC2017★ 7 cited
Embracing a new era of highly efficient and productive quantum Monte Carlo simulations
Amrita Mathuriya, Ye Luo, Raymond C. Clay +3
QMCPACK has enabled cutting-edge materials research on supercomputers for over a decade. It scales nearly ideally but has low single-node efficiency due to the physics-based abstra…
cs.DC2016★ 7 cited
Optimization and parallelization of B-spline based orbital evaluations in QMC on multi/many-core shared memory processors
Amrita Mathuriya, Ye Luo, Anouar Benali +2
B-spline based orbital representations are widely used in Quantum Monte Carlo (QMC) simulations of solids, historically taking as much as 50% of the total run time. Random accesses…