Lista de obras - Riccardo Conte - Dominio Público Uruguay

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

artículo científico publicado en 2018

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

artículo científico publicado en 2018

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

artículo científico publicado en 2015

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

artículo científico publicado en 2015

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

artículo científico publicado en 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

artículo científico publicado en 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

artículo científico publicado en 2013

Collisional energy transfer in highly excited molecules

artículo científico publicado en 2014

Comparison between different Gaussian series representations of the imaginary time propagator

artículo científico publicado en 2010

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

artículo científico publicado el 7 de marzo de 2012

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

artículo científico publicado en 2007

Efficient Generation of Permutationally Invariant Potential Energy Surfaces for Large Molecules

artículo científico publicado en 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

artículo científico publicado en 2015

Graphics processing units accelerated semiclassical initial value representation molecular dynamics

artículo científico publicado en 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

artículo científico publicado en 2020

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

artículo científico publicado en 2017

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

artículo científico publicado en 2015

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

artículo científico publicado en 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

artículo científico publicado en 2013

Roaming Under the Microscope: Trajectory Study of Formaldehyde Dissociation

artículo científico publicado en 2016

Semiclassical vibrational spectroscopy with Hessian databases

scientific article published on 01 June 2019

The first HyDRA challenge for computational vibrational spectroscopy ⬇️

artículo científico publicado en 2023

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

artículo científico publicado en 2015

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

artículo científico publicado en 2014

Lista de obras de Riccardo Conte

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

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

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

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

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

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

An effective semiclassical approach to IR spectroscopy

Anharmonic vibrational eigenfunctions and infrared spectra from semiclassical molecular dynamics

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

Collisional energy transfer in highly excited molecules

Comparison between different Gaussian series representations of the imaginary time propagator

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

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

Efficient Generation of Permutationally Invariant Potential Energy Surfaces for Large Molecules

Full-dimensional potential energy surface for acetylacetone and tunneling splittings

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

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

Graphics processing units accelerated semiclassical initial value representation molecular dynamics

Improved semiclassical dynamics through adiabatic switching trajectory sampling

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

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

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

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

Protonated glycine supramolecular systems: the need for quantum dynamics

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

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

Roaming Under the Microscope: Trajectory Study of Formaldehyde Dissociation

Semiclassical vibrational spectroscopy with Hessian databases

The first HyDRA challenge for computational vibrational spectroscopy ⬇️

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

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