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
Engineering Strategies for Stable and Long‐Life Alkaline Zinc‐Based Flow Batteries
Alkaline zinc‐based flow batteries face persistent challenges from unstable zinc deposition, including dendrite growth, passivation, corrosion, and hydrogen evolution, which severely limit cycling stability. Current research addresses these issues through coordinated electrode structuring, electrolyte regulation, and membrane design to control zinc ...
Yuran Bai +6 more
wiley +1 more source
Single‐ and Dual‐Atom Configurations in Atomically Dispersed Catalysts for Lithium–Sulfur Batteries
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 +4 more
wiley +1 more source
Robust Polymer Hydrogels Improve Electric‐Fish‐Inspired Batteries
ABSTRACT Electric‐fish‐inspired hydrogel batteries based on ion‐concentration gradients offer an attractive route to soft power sources; however, the poor mechanical properties of existing hydrogels limit device assembly and performance. Here, we report poly(ethylene glycol) methyl ether acrylate hydrogels that enable ion‐gradient batteries composed of
Nick Zahnd +5 more
wiley +1 more source
Multi‐Scale Interface Engineering of MXenes for Multifunctional Sensory Systems
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
Weighted Sum-Rate Maximization and Task Completion Time Minimization for Multi-Tag MIMO Symbiotic Radio Networks. [PDF]
Suo L, Wang D, Zhou W, Peng X.
europepmc +1 more source
Charge transport in 2D tin perovskite FETs is shown to be governed by dielectric interface behavior. Polar polymer dielectrics induce dipolar disorder that localizes carriers, whereas nonpolar polymers suppress trapping and enable superior charge transport, ensuring stable and reliable transistor operation. ABSTRACT Understanding the role of interfaces
Chongyao Li +5 more
wiley +1 more source
Cluster minimal sufficient balance (CMSB): an efficient covariate balancing randomization method for cluster randomized trials. [PDF]
Cai J +9 more
europepmc +1 more source
Membrane vesicles derived from the probiotic Lacticaseibacillus casei BL23 demonstrate antimicrobial properties against Escherichia coli and a potential biological effect in improving the overall survival of C. elegans infected with Pseudomonas aeruginosa. These vesicles stimulated immune responses in primary cells without causing toxicity. Our results
Cecilia L. D'Antoni +11 more
wiley +1 more source
Modeling thermoelectric performance of p-type Cu3SbSe4-based chalcogenide materials using decision trees and structural risk error minimization intelligent computational methods. [PDF]
Alharbi FS.
europepmc +1 more source

