Average quality scores of the models of the analysis set as a function of the <i>w</i>_<i>SP</i> with which the DOPE potential has been included in the objective function... حسب Giacomo Janson (8138517)

Parallel Implementation of Density Functional Theory Methods in the Quantum Interaction Computational Kernel Program حسب Madushanka Manathunga (1494862)

الموضوعات:

Flow chart of LEO algorithm. حسب Jianxia Zhang (650535)

Density-Corrected Density Functional Theory for Open Shells: How to Deal with Spin Contamination حسب Hayoung Yu (6415469)

"…Density functional theory (DFT) is usually used self-consistently to predict chemical properties, but the use of the Hartree–Fock (HF) density improves energetics in certain, well-characterized cases. …"

Comparison of the fits of the original and mocked probability density functions to the long-tailed loglogistic, lognormal and generalized extreme value distributions. حسب Michael Smith (26855)

(a-c) Sampling event times with an intensity function . حسب Gerrit Großmann (9585147)

Image_1_Spectral density-based clustering algorithms for complex networks.pdf حسب Taiane Coelho Ramos (6207410)

The probability density function of points in feature space of variance versus mean of the local field for (0,3] and (0,3] displayed as a contour-plot. حسب Ali Talebi (7164203)

Localization error cumulative distribution function graph of EWKNN under different fingerprint databases. حسب Ruiyi Tang (10302578)

Example of the CNF function for off-axis DHM holograms recorded in a non-telecentric configuration. حسب Raul Castañeda (13932971)

Pt Cluster Catalysts and Alkane to Aromatic Conversion Evaluated Using a Combination of Swarm Intelligence and Density Functional Theory حسب Michael T. Davenport (7826936)

"…The catalyst and mechanistic details of this system are not fully known. Here, we report density functional theory (DFT) calculations combined with a swarm intelligence algorithm to determine Pt positioning and interaction with the zeolite framework and detailed comparison of reaction pathways. …"

The structure of genetic algorithm (GA). حسب Ali Akbar Moosavi (17769033)

"…Then, radial basis functions (RBFNNs), multilayer perceptron (MLPNNs), hybrid genetic algorithm (GA-NNs), and particle swarm optimization (PSO-NNs) neural networks were utilized to develop PTFs and compared their accuracy with the traditional regression model (MLR) using statistical indices. …"

Evaluation index performance among algorithms. حسب Ahmed Bahaa (12887063)

الموضوعات:

The APSO-WOA-CNN algorithm flowchart. حسب Ahmed Bahaa (12887063)

الموضوعات:

The “Bubblepole” (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting حسب Frank Neese (736441)

الموضوعات:

Examples of probability histograms (left column) and corresponding density functions (middle column) are shown for all six conditions, based on the domain classifier. حسب Evelien Schat (9230277)

3D modeling qualities of the AS single-template models built by including DOPE in the objective function of MODELLER. حسب Giacomo Janson (8138517)

Analysis of ABIDE dataset: Conventional regression frameworks for optimized algorithmic value. حسب Alexandria M. Jensen (6494957)

الموضوعات:

Comparison of denoising effects of different algorithms. حسب Bingbing Li (461702)

الموضوعات:

Plot of the predicted power spectral density of fluorescence for an arbitrary fluorophore. حسب Nicholas H. Vitale (20469289)