21 citations · 21 across the 3 of their papers we have counts for
3 papers
Fault tolerant computation of the static structure factor and finite size effects
Rishabh Bhardwaj, Alexander Reed Muñoz, Travis E. Jones +1
Fault-tolerant quantum algorithms offer a promising pathway for estimating the ground-state energies of periodic materials that are beyond the practical reach of classical electron…
Fault-tolerant simulation of the electronic structure using Projector Augmented-Waves and Bloch orbitals
Rishabh Bhardwaj, Alexander Reed Muñoz, Travis E. Jones +1
Strongly correlated materials are a natural target for fault-tolerant quantum computers, but they require tools beyond those developed for molecules. Electronic wavefunctions vary…
PyQMC: an all-Python real-space quantum Monte Carlo module in PySCF
William A. Wheeler, Shivesh Pathak, Kevin Kleiner +11
We describe a new open-source Python-based package for high accuracy correlated electron calculations using quantum Monte Carlo (QMC) in real space: PyQMC. PyQMC implements modern…