Results 161 to 170 of about 8,772,119 (248)

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

Regularity for nonlocal equations with local Neumann boundary conditions [PDF]

In this article we establish fine results on the boundary behavior of solutions to nonlocal equations in $C^{k,\gamma}$ domains which satisfy local Neumann conditions on the boundary. Such solutions typically blow up at the boundary like $v \asymp d^{s-1}
Ros-Oton, Xavier, Weidner, Marvin
core  

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

Bulk Boundary Condition for Semi-Infinite Surfaces in Density Functional Theory. [PDF]

J Chem Theory Comput
Bhowmik S, Medford AJ, Suryanarayana P.
europepmc   +1 more source

Existence of solutions for quasilinear parabolic equations with nonlocal boundary conditions

, 2011
We prove the existence of a generalized solution a quasilinear parabolic equation with nonlocal boundary conditions, using the Faedo-Galerkin ...
Baili Chen
core  

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

Coupled Thermal and Nonlocal Effects in Advanced Composite Nanobeams: An Efficient Higher-Order Modeling Approach. [PDF]

Nanomaterials (Basel)
Alghanmi RA, Houari MSA.
europepmc   +1 more source

Impact of internal heat source and rotation on a nonlocal thermoelastic solid with pores via the moore-gibson-thompson framework. [PDF]

Sci Rep
Othman MIA, Said SM, Eraki EEM, Gamal EM.   +3 more
europepmc   +1 more source

Wave propagation in a photo-thermomechanical medium with triple porosity and voids under the Lord-Shulman theory. [PDF]

Sci Rep
Moulahi T, Bouteraa Y, Elidy ES, Sayed HA.   +3 more
europepmc   +1 more source

A quantum magneto-photo-thermoelastic model for wave propagation in laser-excited semiconductors. [PDF]

Sci Rep
Al-Sunousi HF, Rezk EG, El-Sharif AH, El-Bary AA, Kamel A, Lotfy K.   +5 more
europepmc   +1 more source