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G4MP2-GDB9 Database
Narayanan, Badri; Redfern, Paul; Ward, Logan; Blaiszik, Ben; Foster, Ian; Assary, Rajeev S.; Curtiss, Larry
molecules
machine learning
energy materials
simulation
energy
GDB9
database
DFT
Organizations
CHiMaD
Year
2019
Source Name
narayananbadri_g4mp2gdb9_database
Contacts
Rajeev Assary (assary@anl.gov) Badri Narayanan
DOI
10.18126/M23P9G
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An ASE database containing G4MP2 and B3LYP energies for GDB9 molecules.