21 citations · 33 across the 5 of their papers we have counts for
6 papers
Reverse Monte Carlo Modelling in Reduced Dimensions
Md Golam Moctader, Eemeli A. Eronen, Johannes Niskanen
Physical experiments frequently result in inverse problems, where the recorded response is used to deduce information about the sample, typically yielding only partial recovery. Th…
Structural Decomposition of UV--Visible Spectral Variation: Azobenzene in Ethanol Solution
Eemeli A. Eronen, Johannes Niskanen
We present a structural interpretation of statistical variability in simulated liquid-phase UV--visible absorption spectra. We analyze the significant variation of the spectral res…
Structural Descriptors and Information Extraction from X-ray Emission Spectra: Aqueous Sulfuric Acid
E. A. Eronen, A. Vladyka, Ch. J. Sahle +1
Machine learning can reveal new insights into X-ray spectroscopy of liquids when the local atomistic environment is presented to the model in a suitable way. Many unique structural…
Implementation of the Emulator-based Component Analysis
Anton Vladyka, Eemeli A. Eronen, Johannes Niskanen
We present a PyTorch-powered implementation of the emulator-based component analysis used for ill-posed numerical non-linear inverse problems, where an approximate emulator for the…
Information Bottleneck in Peptide Conformation Determination by X-ray Absorption Spectroscopy
Eemeli A. Eronen, Anton Vladyka, Florent Gerbon +2
We apply a recently developed technique utilizing machine learning for statistical analysis of computational nitrogen K-edge spectra of aqueous triglycine. This method, the emulato…
Resonance-enhanced multiphoton ionization in the x-ray regime
Aaron C. LaForge, Sang-Kil Son, Debadarshini Mishra +16
Here, we report on the nonlinear ionization of argon atoms in the short wavelength regime using ultraintense x rays from the European XFEL. After sequential multiphoton ionization,…