Results 61 to 70 of about 545,363 (263)

Toward Knowledge‐Based Workflows: A Semantic Approach to Atomistic Simulations for Mechanical and Thermodynamic Properties

Advanced Engineering Materials, EarlyView.
Knowledge‐based atomistic workflows are presented for mechanical and thermodynamic properties. By coupling modular simulations with ontology‐aligned metadata and provenance, Fe case studies on elastic behavior, defects, thermal properties, and Hall–Petch strengthening reveal how FAIR, queryable, and reusable simulation data can be generated. Mechanical
Abril Azócar Guzmán, Hoang‐Thien Luu, Sarath Menon, Tilmann Hickel, Nina Merkert, Stefan Sandfeld   +5 more
wiley   +1 more source

A Review of Space Target Recognition Based on Ensemble Learning

Aerospace
The increasing number of space debris and space-active targets makes the space environment more and more complex. Space target recognition, a crucial component of space situational awareness, is of paramount importance to space security.
Shiyan Wang, Danpu Zhao, Haikun Hong, Kexian Sun   +3 more
doaj   +1 more source

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

Online Ensemble Learning of Sensorimotor Contingencies [PDF]

, 2015
Forward models play a key role in cognitive agents by providing predictions of the sensory consequences of motor commands, also known as sensorimotor contingencies (SMCs). In continuously evolving environments, the ability to anticipate is fundamental in
Demiris, Y, Zambelli, M
core  

Disordered Carbon Shells Enable Shape Dependent Fluorescence Enhancement in Nanodiamond Quantum Sensors Revealed by Correlative TEM–Fluorescence Microscopy

Advanced Functional Materials, EarlyView.
Molten KNO2 treatment induces a lowrefractive index disordered carbon shell on fluorescent nanodiamonds, enhancing fluorescence emission while preserving spin coherence. Machine learningassisted correlative TEMPL enables direct single‐particle resolution of this enhancement relative to air‐oxidized nanodiamonds of similar morphology, establishing a ...
Parkarsh Kumar, Tom Vaillant, Mehran Kianinia, Haotian Wen, Adam Stewart, Peter J. Reece, Hugues A. Girard, Jean‐Charles Arnault, Huan‐Cheng Chang, Igor Aharonovich, Shery L. Y. Chang   +10 more
wiley   +1 more source

A Python code smell detection method based on ensemble learning

上海师范大学学报. 自然科学版
A Python code odor detection method based on ensemble learning was proposed in this paper, which was used to detect five types of code smell. Two ensemble learning methods, stacked ensemble and voting ensemble, were adopted to detect code smell, and ...
CAO Yue, CHEN Junhua
doaj   +1 more source

Amyloidogenic Peptide Fragments Designed From Bacterial Collagen‐like Proteins Form Hydrogel

Advanced Functional Materials, EarlyView.
This study identified amyloidogenic sequence motifs in bacterial collagen‐like proteins and exploited these to design peptides that self‐assemble into β‐sheet fibers and form hydrogels. One hydrogel supported healthy fibroblast growth, showing promise for biocompatible materials. Our work demonstrates that bacterial sequences can be harnessed to create
Vamika Sagar, Xuen J Ng, Lukas Lechel, Ashish Chand Rajwar, Hendrik Bargel, Abhishek A. Jalan   +5 more
wiley   +1 more source

Single‐ and Dual‐Atom Configurations in Atomically Dispersed Catalysts for Lithium–Sulfur Batteries

Advanced Functional Materials, EarlyView.
Single‐atom and dual‐atom‐based atomically dispersed catalysts (ADCs) effectively address the shuttle effect and sluggish redox kinetics in Li–S batteries. With nearly 100% atomic utilization and tunable coordination environments, ADCs enhance LiPSs adsorption, lower conversion barriers, and accelerate sulfur redox reactions.
Haoyang Xu, Zhenfeng Li, Yue Fei, Ali Mohammadi, Ge Li   +4 more
wiley   +1 more source

Exploring Pb‐Chelation Chemistry in the Crystallization Dynamics of Halide Perovskites

Advanced Functional Materials, EarlyView.
A mechanism of how Pb‐chelation chemistry governs coordination geometry and initial nucleation behavior at the precursor level of halide perovskite, by regulating the deprotonation state of a chelating additive, is elucidated. This allows for innovative reaction‐system design principles that promote coherent growth while suppressing defect formation in
Byeong Jun Kim, Inseo Cho, Jung Geon Son, Yifan Yu, Gunhee Kim, Eunseo Shin, Seyeon Eom, Minsub Um, Subeom Shin, Hyungju Ahn, Dong Suk Kim, Hochan Song, Hyosung Choi, Jonghee Yang   +13 more
wiley   +1 more source

Dual‐Peptide Nanoplatform: Mesoporous Silica Nanoparticles Functionalized With a Cell‐Penetrating Peptide and Loaded With Rationally Designed Antimicrobial Peptides for Tuberculosis Therapy

Advanced Healthcare Materials, EarlyView.
Machine learning–guided engineering of a plectasin‐derived peptide yields DC05, a potent antimycobacterial candidate. Encapsulation into tuftsin‐functionalized mesoporous silica nanoparticles enhances intracellular delivery, stability, and activity against Mycobacterium tuberculosis while maintaining low cytotoxicity and minimal hemolysis. The combined
Christian S. Carnero Canales, Cesar Augusto Roque‐Borda, Ana Carolina Cerqueira Negri, Oswaldo Ramirez Delgado, Letícia Oliveira Catarin Nunes, Flávia Aparecida Resende, Hernane Barud, Norival Alves Santos‐Filho, Saulo Santesso Garrido, Karen Cristina Oliveira, Alexandra Ivo de Medeiros, Rafael Miguel Sábio, Fernando Rogério Pavan   +12 more
wiley   +1 more source