Development of generalized potential-energy surfaces using many-body expansions, neural networks, and moiety energy approximations

2009 ◽  
Vol 130 (18) ◽  
pp. 184102 ◽  
Author(s):  
M. Malshe ◽  
R. Narulkar ◽  
L. M. Raff ◽  
M. Hagan ◽  
S. Bukkapatnam ◽  
...  
Keyword(s):  
Neural Networks ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Many Body ◽  
Generalized Potential ◽  
Energy Surfaces

scholarly journals Representation of coupled adiabatic potential energy surfaces using neural network based quasi-diabatic Hamiltonians: 1,2 2A′ states of LiFH

2019 ◽  
Vol 21 (26) ◽  
pp. 14205-14213 ◽  
Author(s):  
Yafu Guan ◽  
Dong H. Zhang ◽  
Hua Guo ◽  
David R. Yarkony
Keyword(s):  
Neural Network ◽  
Neural Networks ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Adiabatic Potential ◽  
General Algorithm ◽  
Energy Surfaces

A general algorithm for determining diabatic representations from adiabatic energies, energy gradients and derivative couplings using neural networks is introduced.

Approach to potential energy surfaces by neural networks. A review of recent work

2009 ◽  
Vol 110 (2) ◽  
pp. 432-445 ◽  
Author(s):  
Diogo A. R. S. Latino ◽  
Rui P. S. Fartaria ◽  
Filomena F. M. Freitas ◽  
João Aires-De-Sousa ◽  
Fernando M. S. Silva Fernandes
Keyword(s):  
Neural Networks ◽  
Potential Energy ◽  
Recent Work ◽  
Potential Energy Surfaces ◽  
Energy Surfaces
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