Michael J. Holst

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Evaluation of the electrostatic properties of biomolecules has become a standard practice in molecular biophysics. Foremost among the models used to elucidate the electrostatic potential is the Poisson-Boltzmann equation; however, existing methods for solving this equation have limited the scope of accurate electrostatic calculations to relatively small(More)
A multigrid method is presented for the numerical solution of the linearized Poisson-Boltzmann equation arising in molecular biophysics. The equation is discretized with the finite volume method, and the numerical solution of the discrete equations is accomplished with multiple grid techniques originally developed for two-dimensional interface problems(More)
Adaptive multilevel finite element methods are developed and analyzed for certain elliptic systems arising in geometric analysis and general relativity. This class of nonlinear elliptic systems of tensor equations on manifolds is first reviewed, and then adaptive multilevel finite element methods for approximating solutions to this class of problems are(More)
A widely used electrostatics model in the biomolecular modeling community, the nonlinear Poisson–Boltzmann equation, along with its finite element approximation, are analyzed in this paper. A regularized Poisson–Boltzmann equation is introduced as an auxiliary problem, making it possible to study the original nonlinear equation with delta distribution(More)
We consider the conformal decomposition of Einstein’s constraint equations introduced by Lichnerowicz and York, on a closed manifold. We establish existence of non-CMC weak solutions using a combination of a priori estimates for the individual Hamiltonian and momentum constraints, barrier constructions for the Hamiltonian constraint, and topological(More)
In the current study, the three-dimensional (3D) topologies of dyadic clefts and associated membrane organelles were mapped in mouse ventricular myocardium using electron tomography. The morphological details and the distribution of membrane systems, including transverse tubules (T-tubules), junctional sarcoplasmic reticulum (SR) and vicinal mitochondria,(More)
We present a new approach to the use of parallel computers with adaptive finite element methods. This approach addresses the load balancing problem in a new way, requiring far less communication than current approaches. It also allows existing sequential adaptive PDE codes such as PLTMG and MC to run in a parallel environment without a large investment in(More)
The convergence and optimality of adaptive mixed finite element methods for the Poisson equation are established in this paper. The main difficulty for mixed finite element methods is the lack of minimization principle and thus the failure of orthogonality. A quasi-orthogonality property is proved using the fact that the error is orthogonal to the(More)
We present a robust and efficient numerical method for solution of the nonlinear Poisson-Boltzmann equation arising in molecular biophysics. The equation is discretized with the box method, and solution of the discrete equations is accomplished with a global inexact-Newton method, combined with linear multilevel techniques we have described in a paper(More)
This paper is the first of two papers on the adaptive multilevel finite element treatment of the nonlinear Poisson-Boltzmann equation (PBE), a nonlinear elliptic equation arising in biomolecular modeling. Fast and accurate numerical solution of the PBE is usually difficult to accomplish, due to presence of discontinuous coefficients, delta functions, three(More)