52 citations · 210 across the 10 of their papers we have counts for
3 papers · 1 filter
Neural Network Interaction Potentials for para-Hydrogen with Flexible Molecules
Laura Durán Caballero, Christoph Schran, Fabien Brieuc +1
The study of molecular impurities in -hydrogen (H) clusters is key to push forward our understanding of intra- and intermolecular interactions including their impac…
State-resolved infrared spectrum of the protonated water dimer: Revisiting the characteristic proton transfer doublet peak
Henrik R. Larsson, Markus Schröder, Richard Beckmann +4
The infrared (IR) spectra of protonated water clusters encode precise information on the dynamics and structure of the hydrated proton. However, the strong anharmonic coupling and…
Infrared spectra at coupled cluster accuracy from neural network representations
Richard Beckmann, Fabien Brieuc, Christoph Schran +1
Infrared spectroscopy is key to elucidate molecular structures, monitor reactions and observe conformational changes, while providing information on both structural and dynamical p…