Login
The Paraquinone + H2 → Hydroquinone Reaction: A Challenge for Diffusion Monte Carlo Calculations
Mauger, Nastasia; Jordan, Kenneth D.; Benali, Anouar
simulation
QMCPack
QMC
Organizations
MDF Open, Center for Predictive Simulation of Functional Materials
Year
2024
Source Name
quinone_qmc
Contacts
Benali Anouar (benali@anl.gov)
DOI
10.18126/13xf-0nxn
View on Datacite
Get the Data
This data set contains input and outfiles for the simulations associated with the paper: "The Paraquinone + H2 → Hydroquinone Reaction: A Challenge for Diffusion Monte Carlo Calculations." N, Mauger A. Benali and K. D. Jordan