Results 41 to 50 of about 124,064 (205)

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Numerical estimation of the fractional advection–dispersion equation under the modified Atangana–Baleanu–Caputo derivative

Results in Physics, 2023
The transport of contaminants is a crucial environmental issue, and accurate modeling of this phenomenon is vital for developing effective strategies for its management.
Mohammad Partohaghighi, Marzieh Mortezaee, Ali Akgül, Sayed M. Eldin   +3 more
doaj   +1 more source

Data‐Driven High‐Throughput Volume Fraction Estimation From X‐Ray Diffraction Patterns

Advanced Intelligent Discovery, EarlyView.
Long exposure times and the need for manual evaluation limit the use of X‐ray diffraction in high‐throughput applications. This study presents a data‐driven approach addressing both issues. HiVE (a method for High‐throughput Volume fraction Estimation) performs composition estimation for high‐noise XRD patterns produced using polychromatic emission ...
Hawo H. Höfer, André Orth, Robert Wang, Ben Breitung, Simon Schweidler, Jasmin Aghassi‐Hagmann, Markus Reischl   +6 more
wiley   +1 more source

Clenshaw algorithm in the interpolation problem by the Chebyshev collocation method

Discrete and Continuous Models and Applied Computational Science
The article describes a method for calculating interpolation coefficients of expansion using Chebyshev polynomials. The method is valid when the desired function is bounded and has a finite number of maxima and minima in a finite domain of interpolation.
P. Lovetskiy Konstantin, A. Tiutiunnik Anastasiia, Felix Jose do Nascimento Vicente, Celmilton Teixeira Boa Morte   +3 more
doaj   +1 more source

The Characteristics of the First Kind of Chebyshev Polynomials and its Relationship to the Ordinary Polynomials

JTAM (Jurnal Teori dan Aplikasi Matematika), 2021
In this article, we discuss the Chebyshev Polynomial and its characteristics. The second order difference equation and the process obtaining the explicit solution of the Chebyshev polynomial have been given for each real number.
Ikhsan Maulidi, Bonno Andri Wibowo, Vina Apriliani, Rofiqul Umam   +3 more
doaj   +1 more source

Nonlinear permuted Granger causality

Canadian Journal of Statistics, EarlyView.
Abstract Granger causality is an established, contentious method that seeks causal temporal connections via association and precedence. While not true causal inference, it assists in mapping networks of information flow that may warrant further study.
Noah D. Gade, Jordan Rodu
wiley   +1 more source

A highly accurate numerical method for solving boundary value problem of generalized Bagley‐Torvik equation

Mathematical Methods in the Applied Sciences, EarlyView.
A highly accurate numerical method is given for the solution of boundary value problem of generalized Bagley‐Torvik (BgT) equation with Caputo derivative of order 0<β<2$$ 0<\beta <2 $$ by using the collocation‐shooting method (C‐SM). The collocation solution is constructed in the space Sm+1(1)$$ {S}_{m+1}^{(1)} $$ as piecewise polynomials of degree at ...
Suzan Cival Buranay, Mtema James Chin, Nazim I. Mahmudov   +2 more
wiley   +1 more source

Solving Non-Linear Fractional Variational Problems Using Jacobi Polynomials

Mathematics, 2019
The aim of this paper is to solve a class of non-linear fractional variational problems (NLFVPs) using the Ritz method and to perform a comparative study on the choice of different polynomials in the method.
Harendra Singh, Rajesh K. Pandey, Hari Mohan Srivastava   +2 more
doaj   +1 more source

The Combined Effects of Variable Viscosity and Thermal Conductivity of An Unsteady Casson Fluid Flow Along a Vertical Porous Channel With Convective Cooling Walls, Using the Bivariate Spectral Local Linearization Method

Mathematical Methods in the Applied Sciences, EarlyView.
ABSTRACT This study examines the combined impact of different thermal conductivity and viscosity on unsteady non‐Newtonian Casson fluid flow of incompressible, electrical conductivity in a porous vertical channel with convective cooling walls, uniform magnetic field, and constant pressure gradient.
A. S. Adeyemo, Precious Sibanda, S. P. Goqo   +2 more
wiley   +1 more source

A spectral collocation technique based on integrated Chebyshev polynomials for biharmonic problems in irregular domains [PDF]

, 2009
In this paper, an integral collocation approach based on Chebyshev polynomials for numerically solving biharmonic equations [N. Mai-Duy, R.I. Tanner, A spectral collocation method based on integrated Chebyshev polynomials for biharmonic boundary-value ...
See, Howard, Mai-Duy, Nam, Tran-Cong, Thanh   +2 more
core   +1 more source