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List of works by Chiara Aieta

A quantum method for thermal rate constant calculations from stationary phase approximation of the thermal flux-flux correlation function integral

scientific article

An Efficient Computational Approach for the Calculation of the Vibrational Density of States.

scientific article

Anharmonic quantum nuclear densities from full dimensional vibrational eigenfunctions with application to protonated glycine

scientific article published on 28 August 2020

Heavy Atom Tunneling in Organic Reactions at Coupled Cluster Potential Accuracy with a Parallel Implementation of Anharmonic Constant Calculations and Semiclassical Transition State Theory

scientific article published on 07 January 2022

Improved semiclassical dynamics through adiabatic switching trajectory sampling

scientific article published on 01 December 2019

Machine learning for vibrational spectroscopy via divide-and-conquer semiclassical initial value representation molecular dynamics with application to N-methylacetamide

scientific article published on 01 November 2020

Parallel Implementation of Semiclassical Transition State Theory

scientific article published on 13 March 2019

Representing molecular ground and excited vibrational eigenstates with nuclear densities obtained from semiclassical initial value representation molecular dynamics

scientific article published on 01 December 2020

Second Generation Nitrogen Doped Titania Nanoparticles: A Comprehensive Electronic and Microstructural Picture

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