26 citations · 64 across the 5 of their papers we have counts for
Showing 2022 · physics.chem-phShow all
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physics.chem-ph2022★ 24 cited
High-dimensional neural network potentials for accurate vibrational frequencies: The formic acid dimer benchmark
Dilshana Shanavas Rasheeda, Alberto Martín Santa Daría, Benjamin Schröder +2
In recent years, machine learning potentials (MLP) for atomistic simulations have attracted a lot of attention in chemistry and materials science. Many new approaches have been dev…
physics.chem-ph2022★ 26 cited
Exact quantum dynamics developments for floppy molecular systems and complexes
Edit Mátyus, Alberto Martín Santa Daría, Gustavo Avila
Molecular rotation, vibration, internal rotation, isomerization, tunneling, intermolecular dynamics of weakly and strongly interacting systems, intra-to-inter-molecular energy tran…