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Mostrando ítems 1-10 de 26
Classical Antiferromagnetism in Kinetically Frustrated Electronic Models
(American Physical Society, 2014-05)
We study, by means of the density matrix renormalization group, the infinite U Hubbard model—with one hole doped away from half filling—in triangular and square lattices with frustrated hoppings, which invalidate Nagaoka’s ...
Evolution of Nagaoka phase with kinetic energy frustrating hopping
(American Physical Society, 2017-05)
We investigate, using the density-matrix renormalization group, the evolution of the Nagaoka state with t′ hopping that frustrates the hole kinetic energy in the U=∞ Hubbard model on the square and anisotropic triangular ...
Analyzing the effect of homogeneous frustration in protein folding
(2013-10-01)
The energy landscape theory has been an invaluable theoretical framework in the understanding of biological processes such as protein folding, oligomerization, and functional transitions. According to the theory, the energy ...
Analyzing the effect of homogeneous frustration in protein folding
(2013-10-01)
The energy landscape theory has been an invaluable theoretical framework in the understanding of biological processes such as protein folding, oligomerization, and functional transitions. According to the theory, the energy ...
Quantifying Nonnative Interactions in the Protein-Folding Free-Energy Landscape
(Cell Press, 2016-07-26)
Protein folding is a central problem in biological physics. Energetic roughness is an important aspect that controls protein-folding stability and kinetics. The roughness is associated with conflicting interactions in the ...
The kinetic origin of the Daumas-Hérold model for the Li-ion/graphite intercalation system
(Elsevier Science Inc, 2018-08)
Kinetic Monte Carlo simulations are applied to simulate the insertion of lithium ions into graphite. The present results show how the kinetics of lithium ion intercalation in graphite rules the global process, leading to ...
Estudo do efeito da adição de frustração no enovelamento de proteínas utilizando modelos baseados em estruturas
(Universidade Estadual Paulista (Unesp), 2012-05-25)
No processo de enovelamento as proteínas seguem o principio de “mínima frustração”, garantindo ao estado nativo o seu mínimo global de energia e a sua estabilidade termodinâmica. Apesar de, a proteína estar no seu estado ...
Estudo do efeito da adição de frustração no enovelamento de proteínas utilizando modelos baseados em estruturas
(Universidade Estadual Paulista (Unesp), 2012-05-25)
No processo de enovelamento as proteínas seguem o principio de “mínima frustração”, garantindo ao estado nativo o seu mínimo global de energia e a sua estabilidade termodinâmica. Apesar de, a proteína estar no seu estado ...