Solução analítica do potencial de Morse em mecânica clássica

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Soluções da equação de Fokker-Planck para um potencial isoespectral ao potencial de Morse

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Solução analítica da equação de movimento clássica para o potencial de Morse generalizado e potenciais de Morse simétricos

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Oscilador harmônico unidimensional via transformada unilateral de Fourier e mapeamento do potencial de morse unidimensional nos potenciais pseudo-harmônico e de kratzer tridimensionais

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Oscilador harmônico unidimensional via transformada unilateral de Fourier e mapeamento do potencial de morse unidimensional nos potenciais pseudo-harmônico e de kratzer tridimensionais

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Uso de uma rede unidimensional harmônica com o potencial de Rosen-Morse on site para modelar o DNA

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Formação e estabilidade de Breathers no modelo de Peyrard-Bishop para o DNA

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estudo da dinâmica do modelo de Peyrard-Bishop não homogêneo para o DNA

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estudos de confinamento quântico em ligações de hidrogênio

Pós-graduação em Biofísica Molecular - IBILCE

O potêncial de poço duplo e a molécula de amônia

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Modelo vibro-rotacional para a molécula de DNA

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Controle de fotoassociação caótica com campos externos

The objective of the present work was to study the control of the dynamics of diatomic heteronuclear molecules interacting with electric fields created by lasers. Specifically in this work, the molecular photoassociation phenomenon will be analyzed. At this phenomenon, the atom's relative movement is described by a particle that moves in a morse potential well under the influence of an external time dependant force related to the external field. Based on the optimum control theory (OCT), it is presented at the present work laser pulses that alternate a given initial molecular state to a desirable end state, wich in this work was represented by the minimization of a cost functional that indicates how close. To do so, a computational sistem know as Genetic Algorithm (GA) was developed that can be characterizes as an extremelly eficient technique capable of scanning the solutions space and find results close to the optimum solutions

Parallel Computation of 2D Morse-Smale Complexes

The Morse-Smale complex is a useful topological data structure for the analysis and visualization of scalar data. This paper describes an algorithm that processes all mesh elements of the domain in parallel to compute the Morse-Smale complex of large two-dimensional data sets at interactive speeds. We employ a reformulation of the Morse-Smale complex using Forman's Discrete Morse Theory and achieve scalability by computing the discrete gradient using local accesses only. We also introduce a novel approach to merge gradient paths that ensures accurate geometry of the computed complex. We demonstrate that our algorithm performs well on both multicore environments and on massively parallel architectures such as the GPU.

Parallel Computation of 3D Morse-Smale Complexes

The Morse-Smale complex is a topological structure that captures the behavior of the gradient of a scalar function on a manifold. This paper discusses scalable techniques to compute the Morse-Smale complex of scalar functions defined on large three-dimensional structured grids. Computing the Morse-Smale complex of three-dimensional domains is challenging as compared to two-dimensional domains because of the non-trivial structure introduced by the two types of saddle criticalities. We present a parallel shared-memory algorithm to compute the Morse-Smale complex based on Forman's discrete Morse theory. The algorithm achieves scalability via synergistic use of the CPU and the GPU. We first prove that the discrete gradient on the domain can be computed independently for each cell and hence can be implemented on the GPU. Second, we describe a two-step graph traversal algorithm to compute the 1-saddle-2-saddle connections efficiently and in parallel on the CPU. Simultaneously, the extremasaddle connections are computed using a tree traversal algorithm on the GPU.