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  1. The study of Einstein constraint equations in general relativity naturally leads to considering Riemannian manifolds equipped with nonsmooth metrics. There are several important differential operators on Riemannian manifolds whose definitions depend on the metric: gradient, divergence, Laplacian, covariant derivative, conformal Killing operator, and vector Laplacian, among others. In this article, we study the approximation of such operators, defined using a rough metric, by the corresponding operators defined using a smooth metric. This paves the road to understanding to what extent the nice properties such operators possess, when defined with smooth metric, will transfer over to the corresponding operators defined using a nonsmooth metric. These properties are often assumed to hold when working with rough metrics, but to date the supporting literature is slim. 
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  2. In this manuscript, we present a coherent rigorous overview of the main properties of Sobolev-Slobodeckij spaces of sections of vector bundles on compact manifolds; results of this type are scattered through the literature and can be difficult to find. A special emphasis has been put on spaces with noninteger smoothness order, and a special attention has been paid to the peculiar fact that for a general nonsmooth domain Ω in Rn, 0 more » « less
  3. We address fundamental aspects in the approximation theory of vector-valued finite element methods, using finite element exterior calculus as a unifying framework. We generalize the Clément interpolant and the Scott-Zhang interpolant to finite element differential forms, and we derive a broken Bramble-Hilbert lemma. Our interpolants require only minimal smoothness assumptions and respect partial boundary conditions. This permits us to state local error estimates in terms of the mesh size. Our theoretical results apply to curl-conforming and divergence-conforming finite element methods over simplicial triangulations. 
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  7. Berry, Hugues (Ed.)
  8. Abstract

    The Adaptive Poisson–Boltzmann Solver (APBS) software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages that have provided impact in the study of a broad range of chemical, biological, and biomedical applications. APBS addresses the three key technology challenges for understanding solvation and electrostatics in biomedical applications: accurate and efficient models for biomolecular solvation and electrostatics, robust and scalable software for applying those theories to biomolecular systems, and mechanisms for sharing and analyzing biomolecular electrostatics data in the scientific community. To address new research applications and advancing computational capabilities, we have continually updated APBS and its suite of accompanying software since its release in 2001. In this article, we discuss the models and capabilities that have recently been implemented within the APBS software package including a Poisson–Boltzmann analytical and a semi‐analytical solver, an optimized boundary element solver, a geometry‐based geometric flow solvation model, a graph theory‐based algorithm for determining pKavalues, and an improved web‐based visualization tool for viewing electrostatics.

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