Transforming high-dimensional potential energy surfaces into a canonical polyadic decomposition using Monte Carlo methods

2020 ◽  
Vol 152 (2) ◽  
pp. 024108 ◽  
Author(s):  
Markus Schröder
Keyword(s):  
Monte Carlo ◽  
Potential Energy ◽  
Monte Carlo Methods ◽  
Potential Energy Surfaces ◽  
High Dimensional ◽  
Canonical Polyadic Decomposition ◽  
Energy Surfaces

Monte Carlo studies of aqueous solution of nitrogen using different potential energy surfaces

1986 ◽  
Vol 58 (1) ◽  
pp. 65-83 ◽  
Author(s):  
E.S. Fois ◽  
A. Gamba ◽  
G. Morosi ◽  
P. Demontis ◽  
G.B. Suffritti
Keyword(s):  
Aqueous Solution ◽  
Monte Carlo ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Monte Carlo Studies ◽  
Energy Surfaces

scholarly journals High-dimensional potential energy surfaces for molecular simulations: from empiricism to machine learning

2020 ◽  
Vol 1 (1) ◽  
pp. 013001 ◽  
Author(s):  
Oliver T Unke ◽  
Debasish Koner ◽  
Sarbani Patra ◽  
Silvan Käser ◽  
Markus Meuwly
Keyword(s):  
Machine Learning ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Molecular Simulations ◽  
High Dimensional ◽  
Energy Surfaces
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