16 citations · 24 across the 4 of their papers we have counts for
4 papers
Investigating Anharmonicities in Polarization-Orientation Raman Spectra of Acene Crystals with Machine Learning
Paolo Lazzaroni, Shubham Sharma, Mariana Rossi
We present a first-principles machine-learning computational framework to investigate anharmonic effects in polarization-orientation (PO) Raman spectra of molecular crystals, focus…
Accurate Machine Learning Interatomic Potentials for Polyacene Molecular Crystals: Application to Single Molecule Host-Guest Systems
Burak Gurlek, Shubham Sharma, Paolo Lazzaroni +2
Emerging machine learning interatomic potentials (MLIPs) offer a promising solution for large-scale accurate material simulations, but stringent tests related to the description of…
Quantum rates in dissipative systems with spatially varying friction
Oliver Bridge, Paolo Lazzaroni, Rocco Martinazzo +3
We investigate whether making the friction spatially dependent on the reaction coordinate introduces quantum effects into the thermal reaction rates for dissipative reactions. Quan…
Predicting the Electronic Density Response of Condensed-Phase Systems to Electric Field Perturbations
Alan M Lewis, Paolo Lazzaroni, Mariana Rossi
We present a local and transferable machine learning approach capable of predicting the real-space density response of both molecules and periodic systems to external homogeneous e…