The transferability of atomic and functional group properties is an implicit concept in chemistry. The work presented here describes the use of Transferable Atom Equivalents (TAE) to represent molecular electrostatic potential fields through the use of integrated atomic multipole moments that are associated with each TAE atom type used in the reconstruction. TAE molecular surface distributions ...

Stochastic Process Algebras (SPA) like TIPP are a means for functional , performance and dependability modelling of concurrent systems in a modular fashion. Until now their applicability has been restricted by the requirement that the process state space should be nite. This was due to the solution algorithms that were employed. In this paper we present a variant of SPA which enables the Spectr...

The origin of symbolic manipulation derives from the sheer magnitude of the work involved in the building of perturbation theories, which made inevitable that scientific community became interested in the possibility of constructing those theories with the help of computers. Perturbation theories for differential equations containing a small parameter are quite old. The small perturbation theor...

Freak waves are extreme ocean waves that are not predicted by traditional wave probability distributions. We study wave energy focusing, as a possible mechanism for freak wave formation, in a three-dimensional (3D) Numerical Wave Tank (NWT) solving fully nonlinear potential ow equations. The NWT combines a higher-order 3D-BEM and a Mixed-Eulerian-Lagrangian time updating of the free surface, ba...

An asymptotic expansion scheme in finance initiated by Kunitomo and Takahashi [15] and Yoshida[68] is a widely applicable methodology for analytic approximation of the expectation of a certain functional of diffusion processes. [46], [47] and [53] provide explicit formulas of conditional expectations necessary for the asymptotic expansion up to the third order. In general, the crucial step in p...

This article describes a new non-parametric regression method that extends additive regression techniques to allow modeling of interactions among predictor variables. The proposed models consist of sums of smooth functions of one or more predictor variables. Each term involving more than one predictor is assumed to be a composition of bivariate functions of simpler terms in the model. The metho...

We apply improved Taylor expansion method which is one of the variational schemes to Ising model in two-dimensions. It enables us to evaluate free energy and magnetization at strong coupling regions from weak coupling expansion even in the presence of the phase transition. We determine approximated transition point in this scheme. In the presence of external magnetic field we can see not only s...

Thus we can apply any optimization algorithm to solve this minimization problem and obtain a method for solving (1.1). At the point, let us consider the steepest descent method and select any initial guess x0. With xk available we try to find the direction along which φ(x) decreases most rapidly starting from xk and compute the next point xk+1 by minimizing φ(x) in this direction. By Taylor ser...

The Gaussian expansion method (GEM) is applied to calculations of the nuclear excitations in the random-phase approximation (RPA). We adopt the massindependent basis-set that is successful in the mean-field calculations. The RPA results obtained by the GEM are compared with those obtained by several other available methods in Ca isotopes, by using a density-dependent contact interaction along w...

Although it is possible to directly solve an entire flow-acoustics problem in one computation, this approach remains prohibitively large in terms of the computational resource required for most practical applications. Aeroacoustic problems are therefore usually split into two parts; one consisting of the source computation and one of the source propagation. Although both these parts entail grea...