scholarly journals Optimal and non-optimal lattices for non-completely monotone interaction potentials

2019 ◽  
Vol 9 (4) ◽  
pp. 2033-2073 ◽  
Author(s):  
Laurent Bétermin ◽  
Mircea Petrache
Keyword(s):  
Interaction Potentials ◽  
Completely Monotone

A simple method to design interaction potentials able to generate a desired geometrical pattern

2021 ◽  
pp. 116387
Author(s):  
L.A. Padilla ◽  
A. Ramírez-Hernández ◽  
J. Quintana-H ◽  
A.L. Benavides ◽  
J.C. Armas-Perez
Keyword(s):  
Interaction Potentials ◽  
Simple Method ◽  
Geometrical Pattern

Constructing accurate interaction potentials to describe the microsolvation of protonated methane by helium atoms

2017 ◽  
Vol 19 (12) ◽  
pp. 8307-8321 ◽  
Author(s):  
Dennis Kuchenbecker ◽  
Felix Uhl ◽  
Harald Forbert ◽  
Georg Jansen ◽  
Dominik Marx
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Ab Initio ◽  
Path Integral ◽  
Interaction Potential ◽  
Stationary Point ◽  
Path Integral Monte Carlo ◽  
Interaction Potentials ◽  
Helium Atoms

An ab initio-derived interaction potential is derived and used in path integral Monte Carlo simulations to investigate stationary-point structures of CH5+ microsolvated by up to four helium atoms.

AB initio studies of He-Ni and He-Cu interaction potentials

1985 ◽  
Vol 156 ◽  
pp. A330
Author(s):  
H.-O. Beckmann ◽  
J.L. Whitten ◽  
Inder P. Batra
Keyword(s):  
Ab Initio ◽  
Interaction Potentials

Three-dimensional structures of RNA obtained by means of knowledge-based interaction potentials

2010 ◽  
Vol 81 (4) ◽  
Author(s):  
Oscar Taxilaga-Zetina ◽  
Patricia Pliego-Pastrana ◽  
Mauricio D. Carbajal-Tinoco
Keyword(s):  
Three Dimensional ◽  
Interaction Potentials ◽  
Knowledge Based
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