List of works - Jun Chen

A global potential energy surface for the H2 + OH ↔ H2O + H reaction using neural networks

scientific article published on 01 April 2013

A neural network potential energy surface for the F + CH4 reaction including multiple channels based on coupled cluster theory.

scientific article published on 22 March 2018

A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system

scientific article

Accuracy of the centrifugal sudden approximation in the H + CHD₃ → H₂ + CD₃ reaction

scientific article published on 01 June 2014

Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional.

scientific article published on 7 August 2017

An ab initio-based global potential energy surface for the SH3 system and full-dimensional state-to-state quantum dynamics study for the H2 + HS → H2 S + H reaction

scientific article published on 28 December 2018

An accurate potential energy surface for the F + H2 → HF + H reaction by the coupled-cluster method.

scientific article

Communication: A six-dimensional state-to-state quantum dynamics study of the H + CH4 → H2 + CH3 reaction (J = 0).

scientific article published in January 2013

Communication: Fitting potential energy surfaces with fundamental invariant neural network.

scientific article

Communication: Rate coefficients of the H + CH4 → H2 + CH3 reaction from ring polymer molecular dynamics on a highly accurate potential energy surface

scientific article published on 01 September 2015

Communication: an accurate global potential energy surface for the OH + CO → H + CO2 reaction using neural networks

scientific article published in June 2013

Computing energy levels of CH4, CHD3, CH3D, and CH3F with a direct product basis and coordinates based on the methyl subsystem.

scientific article published in February 2018

Dissociative chemisorption of methane on Ni(111) using a chemically accurate fifteen dimensional potential energy surface

scientific article

Dynamical resonances accessible only by reagent vibrational excitation in the F + HD->HF + D reaction

scientific article published on 01 December 2013

Energy transfer between vibrationally excited carbon monoxide based on a highly accurate six-dimensional potential energy surface

scientific article published on 01 August 2020

Enhanced reactivity of fluorine with para-hydrogen in cold interstellar clouds by resonance-induced quantum tunnelling

scientific article published on 24 June 2019

Feshbach resonances in the F + H2O → HF + OH reaction

scientific article published on 13 January 2020

Full-dimensional quantum dynamics study of the H2 + C2H → H + C2H2 reaction on an ab initio potential energy surface

scientific article published in May 2016

Full-dimensional vibrational calculations of five-atom molecules using a combination of Radau and Jacobi coordinates: Applications to methane and fluoromethane

scientific article published on May 2016

H + H2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: validation of the density functionals

scientific article published on 01 February 2015

Methane dissociation on Ni(111): A fifteen-dimensional potential energy surface using neural network method

scientific article published on 01 October 2015

Mode specificity of the dissociative chemisorption of HOD on rigid Cu(111): an approximate full-dimensional quantum dynamics study.

scientific article published on 15 August 2016

Quantum and quasi-classical dynamics of the OH + CO → H + CO2 reaction on a new permutationally invariant neural network potential energy surface

scientific article published on January 2014

Reaction dynamics. Extremely short-lived reaction resonances in Cl + HD (v = 1) → DCl + H due to chemical bond softening.

scientific article

Reactivity oscillation in the heavy-light-heavy Cl + CH4 reaction

scientific article published on 10 April 2020

Ring polymer molecular dynamics fast computation of rate coefficients on accurate potential energy surfaces in local configuration space: Application to the abstraction of hydrogen from methane

scientific article published in April 2016

Ring-polymer molecular dynamics studies on the rate coefficient of the abstraction channel of hydrogen plus ethane, propane, and dimethyl ether

scientific article published on 01 January 2017

Ring-polymer molecular dynamics study on rate coefficient of the barrierless OH + CO system at low temperature

scientific article published on 01 January 2019

The dynamics of the D2 + OH --> HOD + D reaction: a combined theoretical and experimental study

scientific article published on 01 January 2012

The harpooning mechanism as evidenced in the oxidation reaction of the Al atom.

scientific article published on 2 November 2017

Theoretical Study of FH2– Electron Photodetachment Spectra on New Ab Initio Potential Energy Surfaces

scientific article published on 09 November 2015

Time-Dependent Wave Packet Dynamics Calculations of Cross Sections for Ultracold Four-Atom Reactions

scientific article published on 24 September 2020

Time-Dependent Wave Packet Study of the H2 + CH3 → H + CH4 Reaction

scientific article published on 23 October 2015

Water dissociating on rigid Ni(100): A quantum dynamics study on a full-dimensional potential energy surface.

scientific article published in April 2018

Well converged quantum rate constants for the H2 + OH → H2O + H reaction via transition state wave packet

scientific article published on 01 August 2018

List of works by Jun Chen

A global potential energy surface for the H2 + OH ↔ H2O + H reaction using neural networks

A neural network potential energy surface for the F + CH4 reaction including multiple channels based on coupled cluster theory.

A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system

Accuracy of the centrifugal sudden approximation in the H + CHD₃ → H₂ + CD₃ reaction

Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional.

An ab initio-based global potential energy surface for the SH3 system and full-dimensional state-to-state quantum dynamics study for the H2 + HS → H2 S + H reaction

An accurate potential energy surface for the F + H2 → HF + H reaction by the coupled-cluster method.

Communication: A six-dimensional state-to-state quantum dynamics study of the H + CH4 → H2 + CH3 reaction (J = 0).

Communication: Fitting potential energy surfaces with fundamental invariant neural network.

Communication: Rate coefficients of the H + CH4 → H2 + CH3 reaction from ring polymer molecular dynamics on a highly accurate potential energy surface

Communication: an accurate global potential energy surface for the OH + CO → H + CO2 reaction using neural networks

Computing energy levels of CH4, CHD3, CH3D, and CH3F with a direct product basis and coordinates based on the methyl subsystem.

Dissociative chemisorption of methane on Ni(111) using a chemically accurate fifteen dimensional potential energy surface

Dynamical resonances accessible only by reagent vibrational excitation in the F + HD->HF + D reaction

Energy transfer between vibrationally excited carbon monoxide based on a highly accurate six-dimensional potential energy surface

Enhanced reactivity of fluorine with para-hydrogen in cold interstellar clouds by resonance-induced quantum tunnelling

Feshbach resonances in the F + H2O → HF + OH reaction

Full-dimensional quantum dynamics study of the H2 + C2H → H + C2H2 reaction on an ab initio potential energy surface

Full-dimensional vibrational calculations of five-atom molecules using a combination of Radau and Jacobi coordinates: Applications to methane and fluoromethane

H + H2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: validation of the density functionals

Methane dissociation on Ni(111): A fifteen-dimensional potential energy surface using neural network method

Mode specificity of the dissociative chemisorption of HOD on rigid Cu(111): an approximate full-dimensional quantum dynamics study.

Quantum and quasi-classical dynamics of the OH + CO → H + CO2 reaction on a new permutationally invariant neural network potential energy surface

Reaction dynamics. Extremely short-lived reaction resonances in Cl + HD (v = 1) → DCl + H due to chemical bond softening.

Reactivity oscillation in the heavy-light-heavy Cl + CH4 reaction

Ring polymer molecular dynamics fast computation of rate coefficients on accurate potential energy surfaces in local configuration space: Application to the abstraction of hydrogen from methane

Ring-polymer molecular dynamics studies on the rate coefficient of the abstraction channel of hydrogen plus ethane, propane, and dimethyl ether

Ring-polymer molecular dynamics study on rate coefficient of the barrierless OH + CO system at low temperature

The dynamics of the D2 + OH --> HOD + D reaction: a combined theoretical and experimental study

The harpooning mechanism as evidenced in the oxidation reaction of the Al atom.

Theoretical Study of FH2– Electron Photodetachment Spectra on New Ab Initio Potential Energy Surfaces

Time-Dependent Wave Packet Dynamics Calculations of Cross Sections for Ultracold Four-Atom Reactions

Time-Dependent Wave Packet Study of the H2 + CH3 → H + CH4 Reaction

Water dissociating on rigid Ni(100): A quantum dynamics study on a full-dimensional potential energy surface.

Well converged quantum rate constants for the H2 + OH → H2O + H reaction via transition state wave packet