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Data for Graphene-hBN interlayer interactions from quantum Monte Carlo
Kittithat Krongchon Tawfiqur Rakib, Daniel Palmer, Elif Ertekin, and Harley T. Johnson, Lucas K. Wagner
simulation
molecular structures
QMC
QMCPack
Year
2025
Source Name
6fad1e75-e902-49c0-88ca-4e72fbb6f7ab
License
Creative Commons Attribution 4.0
Contacts
lkwagner@illinois.edu
DOI
10.18126/wms3-v894
View on Datacite
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QMC data for Graphene-graphene and Graphene-Boron Nitride interaction energies. Fit and fitting code also included.