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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التفاصيل البيبلوغرافية
المؤلف الرئيسي:	Tongfan Hao (10432746) (author)
مؤلفون آخرون:	Yinghao Ge (8932868) (author), Mark A. Miller (11377887) (author), Agustin L. N. Francesco (22055964) (author), David J. Wales (246398) (author)
منشور في:	2025
الموضوعات:	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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Energy Landscapes of Model Knotted Polymers

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