Location of saddle points and minimum energy paths by a constrained simplex optimization procedure

1979 ◽  
Vol 53 (1) ◽  
pp. 75-93 ◽  
Author(s):  
Klaus M�ller ◽  
Leo D. Brown
Keyword(s):  
Minimum Energy ◽  
Saddle Points ◽  
Optimization Procedure ◽  
Simplex Optimization ◽  
Minimum Energy Paths

A climbing image nudged elastic band method for finding saddle points and minimum energy paths

2000 ◽  
Vol 113 (22) ◽  
pp. 9901-9904 ◽  
Author(s):  
Graeme Henkelman ◽  
Blas P. Uberuaga ◽  
Hannes Jónsson
Keyword(s):  
Minimum Energy ◽  
Saddle Points ◽  
Elastic Band ◽  
Band Method ◽  
Minimum Energy Paths

Self-assembly of Janus ellipsoids: a Brownian dynamics simulation with a quantitative nonspherical-particle model

Soft Matter ◽  
2015 ◽  
Vol 11 (37) ◽  
pp. 7433-7439 ◽  
Author(s):  
Jing Xu ◽  
Yali Wang ◽  
Xuehao He
Keyword(s):  
Self Assembly ◽  
Brownian Dynamics ◽  
Minimum Energy ◽  
Saddle Points ◽  
Three Dimensional ◽  
Dynamics Simulation ◽  
Particle Model ◽  
Brownian Dynamics Simulation ◽  
Nonspherical Particle ◽  
Minimum Energy Paths

Three-dimensional isosurface plots of potential energy and energy curves along the minimum energy paths between saddle points of oblate Janus ellipsoids.

Minimum Energy Paths of Wetting Transitions on Grooved Surfaces

Langmuir ◽  
2015 ◽  
Vol 31 (10) ◽  
pp. 3059-3068 ◽  
Author(s):  
George Pashos ◽  
George Kokkoris ◽  
Andreas G. Boudouvis
Keyword(s):  
Minimum Energy ◽  
Wetting Transitions ◽  
Minimum Energy Paths

scholarly journals Multiple minimum-energy paths and scenarios of unwinding transitions in chiral nematic liquid crystals

2019 ◽  
Vol 100 (6) ◽  
Author(s):  
Semen S. Tenishchev ◽  
Alexei D. Kiselev ◽  
Aleksei V. Ivanov ◽  
Valery M. Uzdin
Keyword(s):  
Liquid Crystals ◽  
Nematic Liquid Crystals ◽  
Minimum Energy ◽  
Chiral Nematic ◽  
Minimum Energy Paths
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