Search results for "FAST"
showing 10 items of 821 documents
An automatic L1-based regularization method for the analysis of FFC dispersion profiles with quadrupolar peaks
2023
Fast Field-Cycling Nuclear Magnetic Resonance relaxometry is a non-destructive technique to investigate molecular dynamics and structure of systems having a wide range of ap- plications such as environment, biology, and food. Besides a considerable amount of liter- ature about modeling and application of such technique in specific areas, an algorithmic approach to the related parameter identification problem is still lacking. We believe that a robust algorithmic approach will allow a unified treatment of different samples in several application areas. In this paper, we model the parameters identification problem as a con- strained L 1 -regularized non-linear least squares problem. Following…
Bidentate pyridyl‐NHC ligands: synthesis, ground and excited state properties of their iron(II) complexes and role of the fac/mer isomerism
2021
International audience; Iron complexes are promising candidates for the development of sustainable molecular photoactive materials as an alternative to those based on precious metals such as Ir, Pt or Ru. These compounds possess metal-ligand charge transfer (MLCT) transitions potentially of high interest for energy conversion or photocatalysis applications if the ultrafast deactivation via lower-lying metal-centred (MC) states can be impeded. Following an introduction describing the main design strategies used so far to increase the MLCT lifetimes, we review some of our latest contributions to the field regarding bidentate Fe(II) complexes comprising N-heterocyclic carbene ligands. The disc…
Implementation of algorithms forK shortest loopless paths
1986
Implementations of loopless k shortest path algorithms are examined. Efficient storage structures for a large number of paths are given. A fast algorithm for determining the shortest paths in Yen's method is developed. Timing experiments show that a hybrid of Clarke's and Yen's methods is generally the fastest, although not significantly. Using upper bounds for the lengths of paths essentially improves all methods.
An optimized mass storage FFT for vector computers
1995
Abstract The performance of a segmented FFT algorithm which allows the out-of-core computation of the Fourier transform of a very large mass storage data array is presented. The code is particularly optimized for vector computers. Tests performed mainly on a CONVEX C210 vector computer showed that, for very long transforms, tuning of the main parameters involved leads to computation speed and global efficiency better than for FFTs performed in-core. The use of tunable parameters allows optimization of the algorithm on machines with different configurations.
Highlighting numerical insights of an efficient SPH method
2018
Abstract In this paper we focus on two sources of enhancement in accuracy and computational demanding in approximating a function and its derivatives by means of the Smoothed Particle Hydrodynamics method. The approximating power of the standard method is perceived to be poor and improvements can be gained making use of the Taylor series expansion of the kernel approximation of the function and its derivatives. The modified formulation is appealing providing more accurate results of the function and its derivatives simultaneously without changing the kernel function adopted in the computation. The request for greater accuracy needs kernel function derivatives with order up to the desidered …
A chirp-z transform-based synchronizer for power system measurements
2005
In the last few years, increased interest in power and voltage quality has forced international working groups to standardize testing and measurement techniques. IEC 61000-4-30, which defines the characteristics of instrumentation for the measurement of power quality, refers to IEC 61000-4-7 for the evaluation of harmonics and interharmonics. This standard, revised in 2002, requires a synchronous sampling of voltage or current signal, in order to limit errors and to ensure reproducible results even in the presence of nonstationary signals. Therefore, an accurate estimation of the fundamental frequency is required, even in the presence of disturbances. In this paper, an algorithm to detect t…
GROMEX: A Scalable and Versatile Fast Multipole Method for Biomolecular Simulation
2020
Atomistic simulations of large biomolecular systems with chemical variability such as constant pH dynamic protonation offer multiple challenges in high performance computing. One of them is the correct treatment of the involved electrostatics in an efficient and highly scalable way. Here we review and assess two of the main building blocks that will permit such simulations: (1) An electrostatics library based on the Fast Multipole Method (FMM) that treats local alternative charge distributions with minimal overhead, and (2) A $λ$-dynamics module working in tandem with the FMM that enables various types of chemical transitions during the simulation. Our $λ$-dynamics and FMM implementations d…
Towards an Efficient Implementation of an Accurate SPH Method
2020
A modified version of the Smoothed Particle Hydrodynamics (SPH) method is considered in order to overcome the loss of accuracy of the standard formulation. The summation of Gaussian kernel functions is employed, using the Improved Fast Gauss Transform (IFGT) to reduce the computational cost, while tuning the desired accuracy in the SPH method. This technique, coupled with an algorithmic design for exploiting the performance of Graphics Processing Units (GPUs), makes the method promising, as shown by numerical experiments.
Probabilistic Self-Localization and Mapping - An Asynchronous Multirate Approach
2008
[EN] In this paper, we present a set of robust and efficient algorithms with O(N) cost for the solution of the Simultaneous Localization And Mapping (SLAM) problem of a mobile robot. First, we introduce a novel object detection method, which is mainly based on multiple line fitting method for landmark detection with regular constrained angles. Second, a line-based pose estimation method is proposed, based on LeastSquares (LS). This method performs the matching of lines, providing the global pose estimation under assumption of known Data-Association. Finally, we extend the FastSLAM (FActored Solution To SLAM) algorithm for mobile robot self-localisation and mapping by considering the asynchr…
Influence of the luminance spatial non-homogeneities of a display monitor on the contrast sensitivity function determination
1999
Abstract The application of computer devices equipped with video monitors both in clinical practice and human vision research has become widespread. These devices offer great advantages over other traditional methodologies (such as printed tests) because they facilitate the variation of the experimental parameters or the design of new psychophysical experiences. The aim of this paper is to determine the degree to which spatial inhomogeneity affects the generation of sinusoidal gratings on a video display. Knowing this degree of tolerance will enable us to determine the minimum demands that can be made on the graphic board and the video screens for their implementation in assessing contrast …