Results 191 to 200 of about 475,413 (306)

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

Advanced Functional Materials, EarlyView.
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, Sumukh Shankar Sharadaprasad, Rochus Schmid   +2 more
wiley   +1 more source

A Phaseless Source Reconstruction Method Based on Adam Optimization Algorithm Combined with Regularization. [PDF]

Sensors (Basel)
Ma Z, Yan Z, Hu K, Zhao F, Ge J.
europepmc   +1 more source

Chiral SURMOFs for Vibrational Circular Dichroism: Multiscale Modeling and Experimental Insights

Advanced Functional Materials, EarlyView.
The use of solid‐state vibrational circular dichroism (VCD) for MOFs is still somewhat unexplored, and in this work, it is shown that chiral surface‐anchored MOFs (SURMOFs) grown on CaF2 provide an excellent platform for VCD. Experimental results are validated through multiscale modeling, showing strong agreement across multiple spectroscopic ...
Ana C. Fingolo, Nadine von Coelln, Benedikt Zerulla, Marjan Krstić, Christian Huck, Thomas G. Mayerhöfer, Christoph Krafft, Petra Tegeder, Carsten Rockstuhl, Christof Wöll   +9 more
wiley   +1 more source

Cost-effective and sustainable operation of microgrids using Improved Whale Optimization Algorithm. [PDF]

Sci Rep
El-Zaher SM, Ahmed AM, Ahmed EM, Sedki YT, Al-Muntaser HK, Sheta AN.   +5 more
europepmc   +1 more source

A Programmable Semiconductor Containing Active Molecular Photoswitches Located in the Crystal's Volume Phase

Advanced Functional Materials, EarlyView.
A novel approach for the design of functional semiconductors is presented, which utilizes the excellent optoelectronic properties of layered hybrid perovskites and the possibility to introduce a molecular photoswitch as the organic spacer. This concept is successfully demonstrated on a coumarin‐based system with the possibility to change the bandgap ...
Oliver Treske, Yaşar Krysiak, Hans Tornatzky, Markus R. Wagner, Sebastian Polarz   +4 more
wiley   +1 more source

Multiobjective starfish optimization algorithm for engineering design and optimal power flow problems. [PDF]

Sci Rep
Jameel M, Merah H, El-Latif AMA, Al-Shami TM, Almutairi A, Abouhawwash M.   +5 more
europepmc   +1 more source

PRELIVE: A Framework for Predicting Lipid Nanoparticles In Vivo Efficacy and Reducing Reliance on Animal Testing

Advanced Functional Materials, EarlyView.
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, Chuan‐En Lu, Kai Liu, Audrey Gallud   +3 more
wiley   +1 more source

Aerial image segmentation using multilevel thresholding based on multi strategy Osprey optimization algorithm. [PDF]

Sci Rep
Abd Elaziz M, Al-Betar MA, Ewees AA, Al-Qaness M.   +3 more
europepmc   +1 more source

Micro and Nanostructural Diversity of Lizard Osteoderm Capping Tissue in Relation to Mechanical Performance

Advanced Functional Materials, EarlyView.
This study shows that lizard osteoderm capping tissue is a hyper‐mineralized hydroxyapatite layer consistently covering the superficial osteoderm surface in those species studied here, yet it varies greatly in morphology, nanostructure, and mechanical performance across species.
Adrian Rodriguez‐Palomo, Marius Didziokas, Malene Siri Berg Jacobsen, Thorbjørn Erik Køppen Christensen, Innokenty Kantor, Mads Ry Vogel Jørgensen, Klaus Pagh Almtoft, Jesper Skovhus Thomsen, Anthony Herrel, Catherine J.A. Williams, Henrik Birkedal   +10 more
wiley   +1 more source

A Hybrid Optimization Algorithm for Enhancing Transportation and Logistics Scheduling in IoT-Enabled Supply Chains. [PDF]

Sensors (Basel)
Jihad AA, Abdalkafor AS, Yassen ET, Aldhaibani OA.   +3 more
europepmc   +1 more source