Thèse de doctorat : Mathématiques : Paris Est : 2008. / Titre provenant de l'écran-titre.

We establish the upper bounds for the difference between the first two eigenvalues of the relative and absolute eigenvalue problems. Relative and absolute boundary conditions are generalization of Dirichlet and Neumann boundary conditions on functions to differential forms respectively. The domains are taken to be a family of symmetric regions in Rn consisting of two cavities joined by a straight thin tube. Our operators are Hodge Laplacian operators acting on k-forms given by the formula Δ(k) = dδ+δd, where d and δ are the exterior derivatives and the codifferentials respectively. A result has been established on Dirichlet case (0-forms) by Brown, Hislop, and Martinez [2]. We use the same techniques to generalize the results on exponential decay of eigenforms, singular perturbation on domains [1], and matrix representation of the Hodge Laplacian restricted to a suitable subspace [2]. From matrix representation, we are able to find exponentially small upper bounds for the difference between the first two eigenvalues.

Dans une première partie, on donne une condition nécessaire et suffisante à ce qu'un opérateur de Schrödinger sur une variété complète non-compacte ait un nombre fini de valeurs propres négatives. Dans une deuxième partie, on s'intéresse à la transformée de Riesz sur une classe de variétés complètes non-compactes vérifiant une inégalité de Sobolev. On montre d'abord une estimée gaussienne pour le noyau de la chaleur d'opérateurs de Schrödinger généralisés, comme par exemple le Laplacien de Hodge agissant sur les formes différentielles, puis on utilise ceci pour montrer que la transformée de Riesz est bornée sur les espaces $L^p$ si $p$ est compris entre $1$ et la dimension de Sobolev. Enfin, on montre un résultat de perturbation pour la transformée de Riesz.

Molecular simulation is an essential tool in understanding complex chemical and biochemical processes as real-life experiments prove increasingly costly or infeasible in practice . This thesis is devoted to methodological aspects of molecular simulation, with a particular focus on computing transition paths and their associated free energy profiles. The first part is dedicated to computational methods for reaction path and transition state searches on a potential energy surface. In Chapter 3 we propose an improvement to a widely-used transition state search method, the Activation Relaxation Technique (ART). We also present a local convergence study of a prototypical algorithm. The second part is dedicated to free energy computations. We focus in particular on an adaptive importance sampling technique, the Adaptive Biasing Force (ABF) method. The first contribution to this field, presented in Chapter 5, consists in showing the applicability to a large molecular system of a new parallel implementation, named multiple-walker ABF (MW-ABF). Numerical experiments demonstrated the robustness of MW-ABF against artefacts arising due to poorly chosen or oversimplified reaction coordinates. These numerical findings inspired a new study of the longtime convergence of the ABF method, as presented in Chapter 6. By studying a slightly modified model, we back our numerical results by showing a faster theoretical rate of convergence of ABF than was previously shown

This thesis is devoted to the study of mixed norm spaces that arise in connection with embeddings of Sobolev and Besov type spaces. We study different structural, integrability, and smoothness properties of functions satisfying certain mixed norm conditions. Conditions of this type are determined by the behaviour of linear sections of functions. The work in this direction originates in a paper due to Gagliardo (1958), and was further developed by Fournier (1988), by Blei and Fournier (1989), and by Kolyada (2005). Here we continue these studies. We obtain some refinements of known embeddings for certain mixed norm spaces introduced by Gagliardo, and we study general properties of these spaces. In connection with these results, we consider a scale of intermediate mixed norm spaces, and prove intrinsic embeddings in this scale. We also consider more general, fully anisotropic, mixed norm spaces. Our main theorem states an embedding of these spaces to Lorentz spaces. Applying this result, we obtain sharp embedding theorems for anisotropic Sobolev-Besov spaces, and anisotropic fractional Sobolev spaces. The methods used are based on non-increasing rearrangements, and on estimates of sections of functions and sections of sets. We also study limiting relations between embeddings of spaces of different type. More exactly, mixed norm estimates enable us to get embedding constants with sharp asymptotic behaviour. This gives an extension of the results obtained for isotropic Besov spaces by Bourgain, Brezis, and Mironescu, and for anisotropic Besov spaces by Kolyada. We study also some basic properties (in particular the approximation properties) of special weak type spaces that play an important role in the construction of mixed norm spaces, and in the description of Sobolev type embeddings. In the last chapter, we study mixed norm spaces consisting of functions that have smooth sections. We prove embeddings of these spaces to Lorentz spaces. From this result, known properties of Sobolev-Liouville spaces follow.

Thesis (Ph.D.)--McMaster University (Canada), 1995. / Source: Dissertation Abstracts International, Volume: 57-03, Section: B, page: 1839. Adviser: A. Peirce.

Thesis (Ph. D.)--University of Washington, 1999. / Vita. Includes bibliographical references (leaves [86]-88).

Thesis (M.S.)--Brigham Young University. Dept. of Electrical and Computer Engineering, 2004. / Includes bibliographical references (p. 95-99).

Made available in DSpace on 2014-06-11T19:26:55Z (GMT). No. of bitstreams: 0 Previous issue date: 2011-01-20Bitstream added on 2014-06-13T20:55:41Z : No. of bitstreams: 1 campetti_mh_me_sjrp.pdf: 574554 bytes, checksum: a27f7403e37f640c1f02b66b9632ca90 (MD5) / Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) / O objetivo deste trabalho é fazer um estudo das propriedades de duas sequências de polinômios, {Pϕ0 n }∞ n=0 e {Pϕ1 n }∞ n=0, ortogonais com relação, respectivamente, às medidas dϕ0 e dϕ1, relacionadas entre si, e das propriedades de duas sequências de polinômios L-ortogonais, {Bψ0 n }∞ n=0 e {Bψ1 n }∞ n=0, quando as medidas associadas, dψ0 e dψ1, est˜ao tamb´em relacionadas. Para os polinômios ortogonais, foram considerados dois casos: polinômios ortogonais associados a medidas simétricas relacionadas por dϕ1(x) = c 1 + qx2 dϕ0(x) e polinˆomios ortogonais associados a medidas relacionadas por (x − q) dϕ1(x) = c dϕ0(x). Como exemplo, os resultados foram aplicados no estudo de polinˆomios ortogonais de Sobolev associados a medidas simétricas como os de Gegenbauer e Hermite, e medidas não simétricas como as de Jacobi e Laguerre. Para os polinômios L-ortogonais, considerou-se o estudo de duas sequências de polinômios associados a medidas positivas fortes dψ0 e dψ1 relacionadas por (z − κ) dψ1(z) = c dψ0(z). Como consequência dessas propriedades, algoritmos para gerar qualquer um dos pares de coeficientes das relações de recorrência, {αψ0 n , βψ0 n } ou {αψ1 n , βψ1 n }, dado o outro, foram dados. / The main purpose of this work is to study some properties of two sequences of polynomials, {Pϕ0 n }∞ n=0 and {Pϕ1 n }∞ n=0, orthogonal, respectively, with respect to the related measures dϕ0 and dϕ1, and properties of two sequences of L-orthogonal polynomials, {Bψ0 n }∞ n=0 and {Bψ1 n }∞ n=0, when the associated measures, dψ0 and dψ1, are also related. For the orthogonal polynomials, we considered two cases: orthogonal polynomials associated with symmetric measures related to each other by dϕ1(x) = c 1 + qx2 dϕ0(x) and orthogonal polynomials associated with measures related by (x − q) dϕ1(x) = c dϕ0(x). As examples, the results are applied to obtain informations regarding Sobolev orthogonal polynomials associated with symmetric measures as Gegenbauer and Hermite measures, and non-symmetrical measures such as Jacobi and Laguerre measures. For the L-orthogonal polynomials, we considered the study of two sequences of polynomials associated with strong positive measures dψ0 and dψ1 and related to each other by (z −κ) dψ1(z) = c dψ0(z). As a consequence of these properties, algorithms to generate any pair of coefficients of the recurrence relations, {αψ0 n , βψ0 n } or {αψ1 n , βψ1 n }, given the other, were given.

Nesta dissertação abordamos o problema. Encontramos primeiro as soluções radiais e depois estudamos a existência de soluções não radiais no anel com auxilio de argumentos variacionais. / In this thesis we investigate the problem. First we find the radial solutions and thcn wc study the existence of nonradial solutions in the case of the annulus by a variat.ional approach.