List of works - Riccardo Conte

"Divide and conquer" semiclassical molecular dynamics: A practical method for spectroscopic calculations of high dimensional molecular systems

scientific article

"Divide-and-conquer" semiclassical molecular dynamics: An application to water clusters

scientific article published on 01 March 2018

"Plug and play" full-dimensional ab initio potential energy and dipole moment surfaces and anharmonic vibrational analysis for CH4-H2O

scientific article published on 01 March 2015

A model for energy transfer in collisions of atoms with highly excited molecules

scientific article published on 12 May 2015

A novel Gaussian Binning (1GB) analysis of vibrational state distributions in highly excited H2O from reactive quenching of OH∗ by H2.

scientific article published in July 2013

A quantum mechanical insight into S2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl⋯CHCl pre-reaction complex with the VENUS suite of codes

scientific article published on 01 October 2018

An effective semiclassical approach to IR spectroscopy

scientific article published on 01 May 2019

Anharmonic vibrational eigenfunctions and infrared spectra from semiclassical molecular dynamics

scientific article published on 01 August 2018

Classical trajectory study of energy transfer in collisions of highly excited allyl radical with argon

scientific article

Collisional energy transfer in highly excited molecules

scientific article published on 27 August 2014

Comparison between different Gaussian series representations of the imaginary time propagator

scientific article published on 18 March 2010

Continuum limit frozen Gaussian approximation for the reduced thermal density matrix of dissipative systems ⬇️

scientific article published on March 7, 2012

Direct evaluation via forced oscillation method of the electronic state density of sizable clusters

scientific article published on 01 January 2007

Efficient Generation of Permutationally Invariant Potential Energy Surfaces for Large Molecules

scientific article published on 08 April 2020

Full-dimensional potential energy surface for acetylacetone and tunneling splittings

scientific article published on 24 September 2020

Full-dimensional, ab initio potential energy surface for glycine with characterization of stationary points and zero-point energy calculations by means of diffusion Monte Carlo and semiclassical dynamics

scientific article published on 01 December 2020

Full-dimensional, high-level ab initio potential energy surfaces for H2(H2O) and H2(H2O)2 with application to hydrogen clathrate hydrates

scientific article published in August 2015

Graphics processing units accelerated semiclassical initial value representation molecular dynamics

scientific article published in May 2014

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

On-the-Fly ab Initio Semiclassical Calculation of Glycine Vibrational Spectrum.

scientific article published on 10 May 2017

Permutationally Invariant Fitting of Many-Body, Non-covalent Interactions with Application to Three-Body Methane-Water-Water.

scientific article published on 13 March 2015

Permutationally invariant polynomial potential energy surfaces for tropolone and H and D atom tunneling dynamics

scientific article published on 01 July 2020

Protonated glycine supramolecular systems: the need for quantum dynamics

scientific article published on 17 September 2018

Quantum Calculations on a New CCSD(T) Machine-Learned Potential Energy Surface Reveal the Leaky Nature of Gas-Phase <i>Trans</i> and <i>Gauche</i> Ethanol Conformers

scientific article published in 2022

Reproducing Deep Tunneling Splittings, Resonances, and Quantum Frequencies in Vibrational Spectra From a Handful of Direct Ab Initio Semiclassical Trajectories

scientific article published on 27 September 2013

Roaming Under the Microscope: Trajectory Study of Formaldehyde Dissociation

scientific article published on 17 February 2016

Semiclassical vibrational spectroscopy with Hessian databases

scientific article published on 01 June 2019

The first HyDRA challenge for computational vibrational spectroscopy ⬇️

scientific article published on 03 August 2023

Trajectory and Model Studies of Collisions of Highly Excited Methane with Water Using an ab Initio Potential.

scientific article published on 24 August 2015

Trajectory study of energy transfer and unimolecular dissociation of highly excited allyl with argon.

scientific article published on 21 August 2014

List of works by Riccardo Conte