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cond-mat.mtrl-sci2025
Graphene-hBN interlayer interactions from quantum Monte Carlo
Kittithat Krongchon, Tawfiqur Rakib, Daniel Palmer +3
The interaction between graphene and hexagonal boron nitride (hBN) plays a pivotal role in determining the electronic and structural properties of graphene-based devices. In this w…
cond-mat.mtrl-sci2022★ 21 cited
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…