Mimyria learns atom-resolved atomic polar tensors and a new polarizability gradient tensor to produce accurate IR and Raman spectra from MD trajectories using small training sets from ab initio data.
E(3)-equivariant graph neural networks f or data-efficient and accurate interatomic potentials
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Mimyria: Machine learned vibrational spectroscopy for aqueous systems made simple
Mimyria learns atom-resolved atomic polar tensors and a new polarizability gradient tensor to produce accurate IR and Raman spectra from MD trajectories using small training sets from ab initio data.