Advanced Functional Materials, EarlyView.We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu +3 more
wiley +1 more source
A Novel Transformer Architecture for Scalable Perovskite Thin-Film Detection. [PDF]
Micromachines (Basel)Li M, Li H, Shi Y, Meng Y.
europepmc +1 more source
Speckle‐Engineered Upconversion Amplification in Nanoemulsion‐Templated Hydrogel Microdomes
Advanced Functional Materials, EarlyView.Nanoemulsion‐confined PEGDA microdomes generate speckle‐like excitation fields that strongly amplify upconversion luminescence upon dehydration, enabling filter‐free visible readout with reversible on–off switching. DMD‐based lithography yields scalable, shape‐programmable arrays for moisture‐responsive displays and optical encryption.
Chaeyeong Ryu +13 more
wiley +1 more source
Deep probabilistic traversability with test-time adaptation for uncertainty-aware planetary rover navigation. [PDF]
Sci RepEndo M, Taniai T, Ishigami G.
europepmc +1 more source
Advanced Functional Materials, EarlyView.Self‐assembled monolayers (SAMs) are promising hole‐transporting materials for organic photovoltaics (OPVs), but suffer from self‐aggregation and poor large‐area uniformity. We find that interfacial modification using nicotinic hydrazide can eliminate the residual SAM aggregates by forming energetically favorable complexes, yielding uniform SAM.
Seongwon Yoon +10 more
wiley +1 more source
Advanced Functional Materials, EarlyView.A large number of MoS2 flakes were screened to obtain high‐quality flakes based on optical intensities in R, G, and B channel images. The flakes were classified from Level 1 to 6 based on optical intensities in the R, G, and B channel images. Low‐quality flake exhibited wrinkled, folded, or overlapped features, while high‐quality displayed a neat ...
Sanghyun Lee +11 more
wiley +1 more source
Probabilistic calculation formula for the compressive strength of ultra-high-performance concrete with coarse aggregate based on feature engineering and genetic programming. [PDF]
Sci RepGuo R +8 more
europepmc +1 more source
Algorithmic Design of Disordered Networks With Arbitrary Coordination: Application to Biophotonics
Advanced Functional Materials, EarlyView.Predictive Design of Disordered Networks: Disordered network‐like morphologies are abundant in nature, from cytoskeletal networks to bone structures and chalcogenide glasses. These structures are naturally hard to characterize. A new algorithmic tool extends the established Wooten–Weaire–Winer (WWW) algorithm to valencies above 4.
Florin Hemmann +3 more
wiley +1 more source
AI redefine untargeted metabolomics: estimating chemical amounts for a Human Exposome Project. [PDF]
Front Public HealthSillé FCM +4 more
europepmc +1 more source
Multi‐Scale Interface Engineering of MXenes for Multifunctional Sensory Systems
Advanced Functional Materials, EarlyView.MXenes, as two‐dimensional transition metal carbides and nitrides, demonstrate remarkable capabilities for multifunctional sensing applications. This review systematically examines multi‐scale interface engineering approaches that enhance sensing performance, enable diverse detection functionalities, and improve system‐level compatibility in MXene ...
Jiaying Liao, Sin‐Yi Pang, Jianhua Hao
wiley +1 more source