36 citations · 36 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2021
Machine Learning for Vibrational Spectroscopy via Divide-and-Conquer Semiclassical Initial Value Representation Molecular Dynamics with Application to N-Methylacetamide
Michele Gandolfi, Alessandro Rognoni, Chiara Aieta +2
A machine learning algorithm for partitioning the nuclear vibrational space into subspaces is introduced. The subdivision criterion is based on Liouville's theorem, i.e. best prese…
physics.chem-ph2019★ 36 cited
Improved semiclassical dynamics through adiabatic switching trajectory sampling
Riccardo Conte, Lorenzo Parma, Chiara Aieta +2
We introduce an improved semiclassical dynamics approach to quantum vibrational spectroscopy. In this method, a harmonic-based phase space sampling is preliminarily driven toward n…