64 citations · 113 across the 8 of their papers we have counts for
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Molecular dynamics-driven global tetra-atomic potential energy surfaces: Application to the AlF dimer
Xiangyue Liu, Weiqi Wang, Jesús Pérez-Ríos
In this work, we present a general machine learning approach for full-dimensional potential energy surfaces for tetra-atomic systems. Our method employs an active learning scheme t…
A data-driven approach to determine dipole moments of diatomic molecules
Xiangyue Liu, Gerard Meijer, Jesús Pérez-Ríos
We present a data-driven approach for the prediction of the electric dipole moment of diatomic molecules, which is one of the most relevant molecular properties. In particular, we…
On the universality of spectroscopic constants of diatomic molecules
Xiangyue Liu, Gerard Meijer, Jesús Pérez-Ríos
We show, through a machine learning approach, that the equilibrium distance, harmonic vibrational frequency, and binding energy of diatomic molecules are universally related. In pa…