Predicting Atomic Charges in MOFs by Topological Charge Equilibration
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi +2 more
wiley +1 more source
An extended CoCoSo method under (p-q) rung orthopair fuzzy environment for multi-criteria decision-making applications. [PDF]
Khan A +5 more
europepmc +1 more source
Anion‐excessive gel‐based organic synaptic transistors (AEG‐OSTs) that can maintain electrical neutrality are developed to enhance synaptic plasticity and multistate retention. Key improvement is attributed to the maintenance of electrical neutrality in the electrolyte even after electrochemical doping, which reduces the Coulombic force acting on ...
Yousang Won +3 more
wiley +1 more source
Optimization of Tribological Properties of Shot-Peened Surfaces via Multi-Criteria Decision-Making Using TOPSIS and GRA. [PDF]
Dzierwa A, Miturska-Barańska I.
europepmc +1 more source
PREdicting LNP In Vivo Efficacy (PRELIVE) framework enables the prediction of lipid nanoparticle (LNPs) organ‐specific delivery through dual modeling approaches. Composition‐based models using formulation parameters and protein corona‐based models using biological fingerprints both achieve high predictive accuracy across multiple organs.
Belal I. Hanafy +3 more
wiley +1 more source
A multi-criteria decision-making framework for managing the safety of marine recreational powered platforms: Integration with the SHELL model. [PDF]
Hsu SH, Yang YK, Ho YF, Lee MT, Lin JC.
europepmc +1 more source
Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
wiley +1 more source
Retraction: Evaluate teaching quality of physical education using a hybrid multi-criteria decision-making framework. [PDF]
PLOS One Editors.
europepmc +1 more source
This work provides a novel interpretation of the nitrate reduction mechanism on iron oxides (FeOx) by employing constant‐potential density functional calculations and reports the design and synthesis of a robust and high‐performance Fe3O4/Fe‐N4‐C catalyst with remarkable Faradaic efficiency, current density, and stability under practical reaction ...
Qiang Zhou +8 more
wiley +1 more source
An integrated TOPSIS and ARAS method multi-criteria decision-making approach for optimizing investment portfolios using goal programming and genetic algorithm model. [PDF]
Pisal P +6 more
europepmc +1 more source

