Search results for "Bicubic interpolation"
showing 5 items of 5 documents
Hybrid Quantum Mechanics/Molecular Mechanics Simulations with Two-Dimensional Interpolated Corrections: Application to Enzymatic Processes
2006
Hybrid quantum mechanics/molecular mechanics (QM/MM) techniques are widely used to study chemical reactions in large systems. Because of the computational cost associated with the high dimensionality of these systems, the quantum description is usually restricted to low-level methods, such as semiempirical Hamiltonians. In some cases, the description obtained at this computational level is quite poor and corrections must be considered. We here propose a simple but efficient way to include higher-level corrections to be used in potential energy surface explorations and in the calculation of potentials of mean force. We evaluate a correction energy term as the difference between a high-level …
A nonlinear algorithm for monotone piecewise bicubic interpolation
2016
We present an algorithm for monotone interpolation on a rectangular mesh.We use the sufficient conditions for monotonicity of Carlton and Fritsch.We use nonlinear techniques to approximate the partial derivatives at the grid points.We develop piecewise bicubic Hermite interpolants with these approximations.We present some numerical examples where we compare different results. In this paper we present an algorithm for monotone interpolation of monotone data on a rectangular mesh by piecewise bicubic functions. Carlton and Fritsch (1985) develop conditions on the Hermite derivatives that are sufficient for such a function to be monotone. Here we extend our results of Arandiga (2013) to obtain…
Genetic Normalized Convolution
2011
Normalized convolution techniques operate on very few samples of a given digital signal and add missing information, trough spatial interpolation. From a practical viewpoint, they make use of data really available and approximate the assumed values of the missing information. The quality of the final result is generally better than that obtained by traditional filling methods as, for example, bilinear or bicubic interpolations. Usually, the position of the samples is assumed to be random and due to transmission errors of the signal. Vice versa, we want to apply normalized convolution to compress data. In this case, we need to arrange a higher density of samples in proximity of zones which c…
Gray coding cubic planar maps
2016
International audience; The idea of (combinatorial) Gray codes is to list objects in question in such a way that two successive objects differ in some pre-specified small way. In this paper, we utilize beta-description trees to cyclicly Gray code three classes of cubic planar maps, namely, bicubic planar maps, 3-connected cubic planar maps, and cubic non-separable planar maps. (C) 2015 Elsevier B.V. All rights reserved.
Cubic Local Splines on Non-uniform Grid
2015
In this chapter, two types of local cubic splines on non-uniform grids are described: 1. The simplest variation-diminishing splines and 2. The quasi-interpolating splines. The splines are computed by a simple fast computational algorithms that utilizes a relation between the splines and cubic interpolation polynomials. Those splines can serve as an efficient tool for real-time signal processing. As an input, they use either clean or noised arbitrarily-spaced samples. On the other hand, the capability to adapt the grid to the structure of an object and minimal requirements to the operating memory are great advantages for off-line processing of signals and multidimensional data arrays.