Poisson discretizations of Wiener functionals and Malliavin operators with Wasserstein estimates

This article proposes a global, chaos-based procedure for the discretization of functionals of Brownian motion into functionals of a Poisson process with intensity $\lambda >0$. Under this discretization we study the weak convergence, as the intensity of the underlying Poisson process goes to infinity, of Poisson functionals and their corresponding Malliavin-type derivatives to their Wiener counterparts. In addition, we derive a convergence rate of $O\left({\lambda }^{?1∕4}\right)$ for the Poisson discretization of Wiener functionals by combining the multivariate Chen–Stein method with the Malliavin calculus. Our proposed sufficient condition for establishing the mentioned convergence rate involves the kernel functions in the Wiener chaos, yet we provide examples, especially the discretization of some common path dependent Wiener functionals, to which our results apply without committing the explicit computations of such kernels. To the best our knowledge, these are the first results in the literature on the universal convergence rate of a global discretization of general Wiener functionals.     

The contact Yamabe flow on K-contact manifolds

We use the contact Yamabe flow to find solutions of the contact Yamabe problem on K-contact manifolds.     

Bi-f-harmonic map equations on singly warped product manifolds

Bi-f-harmonic maps are the critical points of bi-f-energy functional. This class of maps tends to integrate bi-harmonic maps and f-harmonic maps. In this paper, we show that bi-f-harmonic maps are not only an extension of f-harmonic maps but also an extension of bi-harmonic maps, and that there should exist many examples of proper bi-f-harmonic maps.In order to find some concrete examples of proper bi-f-harmonic maps, we study the basic properties of bi-f-harmonic maps from two directions which are conformal maps between the same dimensional manifolds and some special maps from or into a warped product manifold.     

Continuous development of schemes for parallel computing of the electrostatics in biological systems: Implementation in DelPhi

Due to the enormous importance of electrostatics in molecular biology, calculating the electrostatic potential and corresponding energies has become a standard computational approach for the study of biomolecules and nano‐objects immersed in water and salt phase or other media. However, the electrostatics of large macromolecules and macromolecular complexes, including nano‐objects, may not be obtainable via explicit methods and even the standard continuum electrostatics methods may not be applicable due to high computational time and memory requirements. Here, we report further development of the parallelization scheme reported in our previous work (Li, et al., J. Comput. Chem. 2012, 33, 1960) to include parallelization of the molecular surface and energy calculations components of the algorithm. The parallelization scheme utilizes different approaches such as space domain parallelization, algorithmic parallelization, multithreading, and task scheduling, depending on the quantity being calculated. This allows for efficient use of the computing resources of the corresponding computer cluster. The parallelization scheme is implemented in the popular software DelPhi and results in speedup of several folds. As a demonstration of the efficiency and capability of this methodology, the electrostatic potential, and electric field distributions are calculated for the bovine mitochondrial supercomplex illustrating their complex topology, which cannot be obtained by modeling the supercomplex components alone. © 2013 Wiley Periodicals, Inc.     

An Approximate Expression for the Degree of Counterion Binding of Dressed Micelles

A simple formula for calculating the degree of counterion binding of dressed micelles is presented. This approximate expression for the spherical micelle is derived from the extending Langmuir's method in the case of high surface potentials. It works quite well for the estimation of the degree of counterion binding of micelles. The simple form is very convenient for practical use.     

Mathematical model of electromigration allowing the deviation from electroneutrality

The structure of the double layer on the boundary between solid and liquid phases is described by various models, of which the Stern–Gouy–Chapman model is still commonly accepted. Generally, the solid phase is charged, which also causes the distribution of the electric charge in the adjacent diffuse layer in the liquid phase. We propose a new mathematical model of electromigration considering the high deviation from electroneutrality in the diffuse layer of the double layer when the liquid phase is composed of solution of weak multivalent electrolytes of any valence and of any complexity. The mathematical model joins together the Poisson equation, the continuity equation for electric charge, the mass continuity equations, and the modified G-function. The model is able to calculate the volume charge density, electric potential, and concentration profiles of all ionic forms of all electrolytes in the diffuse part of the double layer, which consequently enables to calculate conductivity, pH, and deviation from electroneutrality. The model can easily be implemented into the numerical simulation software such as Comsol. Its outcome is demonstrated by the numerical simulation of the double layer composed of a charged silica surface and an adjacent liquid solution composed of weak multivalent electrolytes. The validity of the model is not limited only to the diffuse part of the double layer but is valid for electromigration of electrolytes in general.     

Anti-holomorphic involutive isometry of hyper-Kähler manifolds and branes

We study complex Lagrangian submanifolds of a compact hyper-Kähler manifold and prove two results: (a) that an involution of a hyper-Kähler manifold which is antiholomorphic with respect to one complex structure and which acts non-trivially on the corresponding symplectic form always has a fixed point locus which is complex Lagrangian with respect to one of the other complex structures, and (b) there exist Lagrangian submanifolds which are complex with respect to one complex structure and are not the fixed point locus of any involution which is anti-holomorphic with respect to one of the other complex structures.     

A Lagrangian for Hamiltonian vector fields on singular Poisson manifolds

On a manifold equipped with a bivector field, we introduce for every Hamiltonian a Lagrangian on paths valued in the cotangent space whose stationary points project onto Hamiltonian vector fields. We show that the remaining components of those stationary points tell whether the bivector field is Poisson or at least defines an integrable distribution—a class of bivector fields generalizing twisted Poisson structures that we study in detail.