475 citations · 2.5k across the 26 of their papers we have counts for
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QMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids
Jeongnim Kim, Andrew Baczewski, Todd D. Beaudet +45
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms,…
Polymer Field-Theory Simulations on Graphics Processing Units
Kris T. Delaney, Glenn H. Fredrickson
We report the first CUDA graphics-processing-unit (GPU) implementation of the polymer field-theoretic simulation framework for determining fully fluctuating expectation values of e…
Trial wave functions for High-Pressure Metallic Hydrogen
Carlo Pierleoni, Kris T. Delaney, Miguel A. Morales +2
Many body trial wave functions are the key ingredient for accurate Quantum Monte Carlo estimates of total electronic energies in many electron systems. In the Coupled Electron-Ion…