Energy Landscapes of Model Knotted Polymers

Energy Landscapes of Model Knotted Polymers

The energy landscape of a model knotted ring polymer, consisting of 100 Lennard-Jones particles connected by harmonic springs, is extensively characterized for three topologies. Basin-hopping global optimization with unrestricted perturbation moves for the geometry can efficiently locate the global...

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Bibliographic Details
Main Author: Tongfan Hao (10432746) (author)
Other Authors: Yinghao Ge (8932868) (author), Mark A. Miller (11377887) (author), Agustin L. N. Francesco (22055964) (author), David J. Wales (246398) (author)
Published: 2025
Subjects:
Evolutionary Biology
Ecology
Biological Sciences not elsewhere classified
Mathematical Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Physical Sciences not elsewhere classified
unrestricted perturbation moves
soft matter systems
relaxation time scales
model knotted polymers
jones particles connected
isotropic radial potential
efficient geometrical perturbations
associated broken ergodicity
global minimum corresponds
hopping global optimization
global minimum
wide range
three topologies
symmetrical packing
structure provides
particularly favorable
materials design
harmonic springs
generally applicable
extensively characterized
energy minima
energy landscapes
energy landscape
efficiently locate
crossing number
clearly visible
100 lennard
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