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

The Journal of Chemical Physics ◽

10.1063/1.4811109 ◽

2013 ◽

Vol 138 (22) ◽

pp. 221104 ◽

Author(s):

Jun Chen ◽

Xin Xu ◽

Xin Xu ◽

Dong H. Zhang

Keyword(s):

Neural Networks ◽

Potential Energy ◽

Potential Energy Surface ◽

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Global Potential Energy Surface for the H+CH4↔H2+CH3 Reaction using Neural Networks

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/27/04/373-379 ◽

2014 ◽

Vol 27 (4) ◽

pp. 373-379 ◽

Author(s):

Xin Xu ◽

Jun Chen ◽

Dong H. Zhang

Keyword(s):

Neural Networks ◽

Potential Energy ◽

Potential Energy Surface ◽

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Six-dimensional potential energy surface of the dissociative chemisorption of HCl on Au(111) using neural networks

Science China Chemistry ◽

10.1007/s11426-013-5005-7 ◽

2013 ◽

Vol 57 (1) ◽

pp. 147-155 ◽

Author(s):

TianHui Liu ◽

BiNa Fu ◽

Dong H. Zhang

Keyword(s):

Neural Networks ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Dissociative Chemisorption

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MCTDH study on the reactive scattering of the Cl + HD reaction based on the neural-networks potential energy surface

Chemical Physics ◽

10.1016/j.chemphys.2017.11.004 ◽

2018 ◽

Vol 509 ◽

pp. 131-138

Author(s):

Qingyong Meng

Keyword(s):

Neural Networks ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Reactive Scattering ◽

The Neural Networks

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Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks

The Journal of Chemical Physics ◽

10.1063/1.3095491 ◽

2009 ◽

Vol 130 (13) ◽

pp. 134101 ◽

Author(s):

A. Pukrittayakamee ◽

M. Malshe ◽

M. Hagan ◽

L. M. Raff ◽

R. Narulkar ◽

...

Keyword(s):

Neural Networks ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Force Fields ◽

Feedforward Neural Networks ◽

Simultaneous Fitting

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Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and feed-forward neural networks

The Journal of Chemical Physics ◽

10.1063/1.2162170 ◽

2006 ◽

Vol 124 (5) ◽

pp. 054321 ◽

Author(s):

D. I. Doughan ◽

L. M. Raff ◽

M. G. Rockley ◽

M. Hagan ◽

Paras M. Agrawal ◽

...

Keyword(s):

Neural Networks ◽

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Theoretical Investigation ◽

Energy Surface ◽

Vibrationally Excited ◽

Vinyl Bromide ◽

Dissociation Dynamics ◽

Feed Forward Neural Networks

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Retraction: “Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and feed-forward neural networks” [J. Chem. Phys. 124, 054321 (2006)]

The Journal of Chemical Physics ◽

10.1063/1.2264051 ◽

2006 ◽

Vol 125 (7) ◽

pp. 079901 ◽

Author(s):

D. I. Doughan ◽

L. M. Raff ◽

M. G. Rockley ◽

M. Hagan ◽

Paras M. Agrawal ◽

...

Keyword(s):

Neural Networks ◽

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Chem Phys ◽

Vibrationally Excited ◽

Vinyl Bromide ◽

Dissociation Dynamics ◽

Feed Forward Neural Networks

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Potential energy surface interpolation with neural networks for instanton rate calculations

The Journal of Chemical Physics ◽

10.1063/1.5015950 ◽

2018 ◽

Vol 148 (9) ◽

pp. 094106 ◽

Author(s):

April M. Cooper ◽

Philipp P. Hallmen ◽

Johannes Kästner

Keyword(s):

Neural Networks ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Surface Interpolation

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

The Journal of Chemical Physics ◽

10.1063/1.4801658 ◽

2013 ◽

Vol 138 (15) ◽

pp. 154301 ◽

Author(s):

Jun Chen ◽

Xin Xu ◽

Xin Xu ◽

Dong H. Zhang

Keyword(s):

Neural Networks ◽

Potential Energy ◽

Potential Energy Surface ◽

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Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and feedforward neural networks. II. Numerical application of the method

The Journal of Chemical Physics ◽

10.1063/1.2768948 ◽

2007 ◽

Vol 127 (13) ◽

pp. 134105 ◽

Author(s):

M. Malshe ◽

L. M. Raff ◽

M. G. Rockley ◽

M. Hagan ◽

Paras M. Agrawal ◽

...

Keyword(s):

Neural Networks ◽

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Feedforward Neural Networks ◽

Vibrationally Excited ◽

Numerical Application ◽

Vinyl Bromide ◽

Dissociation Dynamics

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Rotational spectra of the Ne–N 2 complex based on a new three-dimensional potential energy surface using neural networks

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2015.11.007 ◽

2016 ◽

Vol 319 ◽

pp. 39-46

Author(s):

Hong Fu ◽

Rui Zheng ◽

Limin Zheng

Keyword(s):

Neural Networks ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Three Dimensional ◽

Rotational Spectra

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