Results 61 to 70 of about 649,766 (178)

Machine‐Learning‐Assisted Discovery and Accelerated Synthesis of Metal Phosphosulfides

Small, EarlyView.
The synthesizability and band gaps of 909 hypothetical ternary phosphosulfides are evaluated by a combination of density functional theory and multi‐fidelity machine learning. The accelerated material development workflow is extended to the experimental domain by demonstrating a route to high‐throughput synthesis and characterization of virtually any ...
Javier Sanz Rodrigo, Nicholas A. Kryger‐Nelson, Lena A. Mittmann, Eugène Bertin, Ivano E. Castelli, Andrea Crovetto   +5 more
wiley   +1 more source

Alkali Chalcogenido Dialuminates A6[Al2Q6] (A = K, Rb, Cs; Q = S, Se, Te)

Zeitschrift für anorganische und allgemeine Chemie, EarlyView.
Seven new alkali chalcogenido aluminates A6[Al2Q6] (A = K‐Cs, Q = S‐Te) complement the family of simple metallates(III) A6[M2Q6] (M = Al‐In, FeIII) with dinuclear anions of two edge sharing [AlQ4] tetrahedra. Despite the similar anions, straightforward bonding situation and physical properties, these metallates crystallize in seven different structure ...
Michael Schwarz, Vincent Daiber, Caroline Röhr   +2 more
wiley   +1 more source

Order of Convergence and Dynamics of Newton–Gauss-Type Methods

Fractal and Fractional, 2023
On the basis of the new iterative technique designed by Zhongli Liu in 2016 with convergence orders of three and five, an extension to order six can be found in this paper. The study of high-convergence-order iterative methods under weak conditions is of
Ramya Sadananda, Santhosh George, Ioannis K. Argyros, Jidesh Padikkal   +3 more
doaj   +1 more source

Dielectric‐Confinement‐Induced in‐Plane Photoelectric Anisotropy in Isotropic Quasi‐1D γ‐GaS Nanoribbon

Advanced Science, Volume 13, Issue 45, 13 August 2026.
We investigate the geometry‐governed optoelectronic anisotropy arising from dielectric confinement in quasi‐1D γ‐GaS nanoribbons with intrinsically isotropic atomic structures. Dielectric mismatch between the nanoribbon and its surroundings leads to a general polarization‐dependent photoresponse during near‐field scattering.
Jiawei Jing, Jiamei Chen, Xing Xin, Peisong Peng, Zhihao Wu, Weiheng Zhong, Hanyu Zhang, Wanfu Shen, Jihua Zhang, Yuwei Shan, Yuanzheng Li, Xingang Zhao, Wei Xin, Fang Wang, Weida Hu, Haiyang Xu, Yichun Liu   +16 more
wiley   +1 more source

Extended Efficient Multistep Solvers for Solving Equations in Banach Spaces

Mathematics
In this paper, we investigate the local and semilocal convergence of an iterative method for solving nonlinear systems of equations. We first establish the conditions under which these methods converge locally to the solution.
Ramandeep Behl, Ioannis K. Argyros, Sattam Alharbi   +2 more
doaj   +1 more source

Convergence analysis of a power series based iterative method having seventh order of convergence

Математичні Студії
In this paper, we propose a new three-point iterative scheme for solving nonlinear equations, which achieves seventh-order convergence. The method begins with a standard Newton iteration, followed by two weighted-Newton steps constructed using power ...
C. D. Sreedeep, I. K. Argyros, K. C. Gopika Dinesh, N. Shrestha, M. Argyros   +4 more
doaj   +1 more source

Universally Accurate or Specifically Inadequate? Stress‐Testing General Purpose Machine Learning Interatomic Potentials

Advanced Intelligent Discovery, Volume 2, Issue 4, August 2026.
We investigate MACE‐MP‐0 and M3GNet, two general‐purpose machine learning potentials, in materials discovery and find that both generally yield reliable predictions. At the same time, both potentials show a bias towards overstabilizing high energy metastable states. We deduce a metric to quantify when these potentials are safe to use.
Konstantin S. Jakob, Karsten Reuter, Johannes T. Margraf   +2 more
wiley   +1 more source

On the semilocal convergence of inexact Newton methods in Banach spaces [PDF]

, 2008
We provide two types of semilocal convergence theorems for approximating a solution of an equation in a Banach space setting using an inexact Newton method [I.K.
Ioannis K. Argyros, Argyros, Ioannis K.
core   +1 more source

Expanding the Applicability of Some High Order Househölder-Like Methods

Algorithms, 2017
This paper is devoted to the semilocal convergence of a Househölder-like method for nonlinear equations. The method includes many of the studied third order iterative methods.
Sergio Amat, Ioannis K. Argyros, Miguel A. Hernández-Verón, Natalia Romero   +3 more
doaj   +1 more source

Ab Initio Investigation of MgXe, Its Cation Mg+Xe and Clusters Mg+Xen: Electronic Structure, Spectroscopic Properties, and Temperature‐Dependent Absorption Spectra

International Journal of Quantum Chemistry, Volume 126, Issue 13, July 5, 2026.
Accurate potential energy curves, spectroscopic constants, and transition dipole moments were determined for the Mg+Xe and MgXe complexes. Spin–orbit effects were explicitly included for the Mg+Xe ionic system. Monte Carlo simulations were employed to investigate Mg+Xen clusters, and the temperature dependence of their absorption spectra was analyzed ...
M. Bejaoui, S. Awali, W. Zrafi, J. Dhiflaoui, H. Berriche   +4 more
wiley   +1 more source