26 citations · 89 across the 6 of their papers we have counts for
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physics.chem-ph2021★ 12 cited
Emulator-based Decomposition for Structural Sensitivity of Core-level Spectra
Johannes Niskanen, Anton Vladyka, Joonas Niemi +1
We explore the sensitivity of several core-level spectroscopic methods to the underlying atomistic structure by using the water molecule as our test system. We first define a metri…
physics.chem-ph2021★ 11 cited
Machine learning in interpretation of electronic core-level spectra
Johannes Niskanen, Anton Vladyka, J. Antti Kettunen +1
Electronic transitions involving core-level orbitals offer a localized, atomic-site and element specific peek window into statistical systems such as molecular liquids. Although fo…