274 citations · 1.2k across the 26 of their papers we have counts for
4 papers · 1 filter
Manifestations of Local Supersolidity of He around a Charged Molecular Impurity
Fabien Brieuc, Christoph Schran, Dominik Marx
A frozen, solid helium core, dubbed snowball, is typically observed around cations in liquid helium. Here we discover, using path integral simulations, that around a cationic molec…
Transferability of machine learning potentials: Protonated water neural network potential applied to the protonated water hexamer
Christoph Schran, Fabien Brieuc, Dominik Marx
A previously published neural network potential for the description of protonated water clusters up to the protonated water tetramer, H(HO), at essentially converged co…
Deciphering High-order Structural Correlations within Fluxional Molecules from Classical and Quantum Configurational Entropy
Rafal Topolnicki, Fabien Brieuc, Christoph Schran +1
We employ the k-th nearest-neighbor estimator of configurational entropy in order to decode within a parameter-free numerical approach the complex high-order structural correlation…
Committee neural network potentials control generalization errors and enable active learning
Christoph Schran, Krystof Brezina, Ondrej Marsalek
It is well known in the field of machine learning that committee models improve accuracy, provide generalization error estimates, and enable active learning strategies. In this wor…