Results 131 to 140 of about 1,252,466 (233)

Geometry‐Based Neural‐Network Prediction of Electron Localization Function Topology in Dense Hydrogen

Chemistry – A European Journal, Volume 32, Issue 39, 22 October 2026.
We present a machine‐learning framework that predicts the electron localization function (ELF) of dense hydrogen directly from atomic geometry, bypassing explicit electronic‐structure calculations. Trained on ab initio data for fluid hydrogen across multiple pressures, the model achieves high accuracy and reveals pressure‐dependent nonlocal ...
Xiaoyu Wang, Miriam Marqués, Sergio Gómez, Francesc Serratosa, Eva Zurek, Julia Contreras‐García   +5 more
wiley   +1 more source

A Practical Guide to First‐Principles Calculations for Pseudocapacitive Materials: From Electrochemical Experiments to Atomistic Understanding

ChemElectroChem, Volume 13, Issue 20, 16 October 2026.
Electrochemical experiments reveal what happens, whereas first principles calculations explain why. Emerging computational electrochemistry is bridging these perspectives, enabling quantitative understanding of electrode/electrolyte interfaces and enabling the rational design of next‐generation energy storage materials.
Kenji Oqmhula, Ryo Maezono, Kenta Hongo
wiley   +1 more source

Remarks on the quenching estimate for a nonlocal diffusion problem with a reaction term

Journal of Numerical Analysis and Approximation Theory, 2012
In this paper, we address the following initial value problem\[\begin{array}{ll}\hbox{\(u_t=\int_{\Omega}J(x-y)(u(y, t)-u(x, t)){\rm d}y+f(u(x, t))\quad \mbox{in}\quad \overline{\Omega}\times(0,T)\),} \\\hbox{\(u(x,0)=u_{0}(x)\geq 0\quad \mbox{in}\quad ...
Halima Nachid
doaj  

A finite element approach to the Keller–Segel Chemotaxis system with impact of nonlocal diffusion

Boundary Value Problems
This paper presents the investigation of a boundedness solution for a Keller–Segel chemotaxis (KSC) system with nonlocal diffusion. In order to achieve boundedness, we derive the necessary and sufficient condition based on the assumption of ensuring a ...
A. Baskar, V. Parthiban
doaj   +1 more source

Fractional Diffusion in Computational Modeling of Radiofrequency Tumor Ablation

Fractal and Fractional
Radiofrequency ablation (RFA) is commonly modeled using classical heat diffusion equations; however, growing evidence suggests that heat transport in biological tissues exhibits nonlocal and scale-dependent behavior driven by capillary perfusion. In this
Ivan Lirkov, Svetozar Margenov, Dimitar Slavchev   +2 more
doaj   +1 more source

Arbitrary Wavefront Manipulation in Real Space and Momentum Space Based on Elliptical Structures

Nanophotonics, Volume 15, Issue 19, 13 October 2026.
Leveraging elliptical structures—while preserving real space arbitrary wavefront manipulation—we generalize the manipulation to momentum space rather than only sustaining topological singularities. Multifunctional integrated outputs, such as beam deflection and focusing, can be flexibly achieved in the near–infrared communication band, and the ...
Siqi Chang, Xiaomei Gao, Zhiyang Xu, Fangyuan Liu, Tianrui Zhai   +4 more
wiley   +1 more source

Bifurcations and vertical distribution in a nonlocal phytoplankton-nutrient-detritus model

Advances in Nonlinear Analysis
This study investigates a nonlocal reaction-diffusion-advection model for phytoplankton-nutrient-detritus systems, focusing on the existence of positive steady states and their vertical distribution.
Yan Xiao, Gu Chenjing, Nie Hua
doaj   +1 more source

An inverse time-dependent source problem for a time-fractional diffusion equation with nonlocal boundary conditions

Miskolc Mathematical Notes
In this paper, we investigate an inverse time-dependent source problem for a time-fractional diffusion equation with nonlocal boundary and integral over-determination conditions. The fractional derivative is described in the generalized Caputo sense. The
Farid Mihoubi, Brahim Nouiri
doaj   +1 more source

Nonlinear degenerate cross-diffusion systems with nonlocal interaction

, 2018
We investigate a class of systems of partial differential equations with nonlinear cross-diffusion and nonlocal interactions, which are of interest in several contexts in social sciences, finance, biology, and real world applications.
ESPOSITO, ANTONIO, A. Esposito, S. Fagioli, Fagioli, S., Di Francesco, M., M. Di Francesco   +5 more
core   +1 more source

Rigorous derivation of the nonlocal reaction-diffusion FitzHugh-Nagumo system

, 2018
We introduce a spatially extended transport kinetic FitzHugh-Nagumo model with forced local interactions and prove that its hydrodynamic limit converges towards the classical nonlocal reaction-diffusion FitzHugh-Nagumo system.
Filbet, Francis
core   +1 more source