scholarly journals Potential energy surface interpolation with neural networks for instanton rate calculations

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

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

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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