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Following a recent effort [J. Am. Soc. Mass Spectrom. 23, 386-396 (2012)], we continue to explore computational methodologies for generating molecular conformations to support collisional cross sections suggested by ion mobility measurements. Here, adaptiv ...
In Control System Theory, the study of continuous-time, finite dimensional, underdetermined systems of ordinary differential equations is an important topic. Classification of systems in different categories is a natural initial step to the analysis of a g ...
We analyze how the choice of the sampling weight affects efficiency of the Monte Carlo evaluation of classical time autocorrelation functions. Assuming uncorrelated sampling or sampling with constant correlation length, we propose a sampling weight for whi ...
We study equations on a principal bundle over a compact complex manifold coupling a connection on the bundle with a Kahler structure on the base. These equations generalize the conditions of constant scalar curvature for a Kahler metric and Hermite-Yang-Mi ...
In this paper we study the problem of Hamiltonization of nonholonomic systems from a geometric point of view. We use gauge transformations by 2-forms (in the sense of evera and Weinstein in Progr Theoret Phys Suppl 144:145 154 2001) to construct different ...
We propose a method for accurate and fast reconstruction of the interior of a 2D or 3D tomographic image from its incomplete local Radon transform. Unlike the existing interior tomography work with 2D total variation, the proposed algorithm guarantees exac ...
The kinematics of the anatomical shoulder are analysed and modelled as a parallel mechanism similar to a Stewart platform. A new method is proposed to describe the shoulder kinematics with minimal coordinates and solve the indeterminacy. The minimal coordi ...
A state-of-the-art simulation technique that solves the equations of motion together with the set-valued contact and impulse laws by the time-stepping scheme of Moreau is introduced to the legged robotics community. An analysis is given that shows which of ...
Recession flow analysis are crucial in many areas of water resource management and useful to forecast base flow in gauged rivers. Moving from a classical recession curve analysis method, a large set of recession curves has been analyzed from Swiss streamfl ...
The stability for all generic equilibria of the Lie-Poisson dynamics of the so(4) rigid body dynamics is completely determined. It is shown that for the generalized rigid body certain Cartan subalgebras (called of coordinate type) of so(n) are equilibrium ...