2 citations · 3 across the 6 of their papers we have counts for
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physics.chem-ph2021★ 2 cited
MP2 Is Not Good Enough: Transfer Learning ML Models for Accurate VPT2 Frequencies
Silvan Käser, Eric Boittier, Meenu Upadhyay +1
The calculation of the anharmonic modes of small to medium sized molecules for assigning experimentally measured frequencies to the corresponding type of molecular motions is compu…
cond-mat.mes-hall2021
Optimized Graphene Electrodes for contacting Graphene Nanoribbons
Oliver Braun, Jan Overbeck, Maria El Abbassi +12
Atomically precise graphene nanoribbons are a promising emerging class of designer quantum materials with electronic properties that are tunable by chemical design. However, many c…