Results 151 to 160 of about 2,469,574 (283)

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

open access: yesAdvanced 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

Shape‐Controlled Guanine Self‐Assemblies for Stable and Fast‐Ion Solid–Electrolyte Interphases in Sustainable Li Metal Batteries

open access: yesAdvanced Functional Materials, EarlyView.
The shape of guanine self‐assemblies is tuned by introducing alkyl (G8), fluoroalkyl (G8f), and oligoether (G8g) side chains into the G moiety. The scanning tunneling microscopy results and calculations show that the presence and type of the side chain strongly affect the G self‐assembly network.
So‐Huei Kang   +9 more
wiley   +1 more source

Small measurable cardinals. [PDF]

open access: yesArch Math Log
Hayut Y, Karagila A.
europepmc   +1 more source

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

open access: yesAdvanced 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   +4 more
wiley   +1 more source

Auxeticity‐by‐Assembly: Interlocking Modular Auxetic Metamaterials with Selectively Activatable AgNW–Graphene Oxide‐EGaIn Composite Interconnects for Scalable Freeform Photovoltaic Modules

open access: yesAdvanced Functional Materials, EarlyView.
Auxeticity‑by‑Assembly converts freeform photovoltaics from cut‑defined layouts to assembly‑defined systems. Standardized interlocking units generate negative‑Poisson‑ratio, reconfigurable architectures, while hinge regions are wired by selectively activatable AgNW–GO@EGaIn composite interconnects and a folding‑enabled interconnector layer. A decimeter‑
Seok Joon Hwang   +15 more
wiley   +1 more source

Metachromatic Butterfly Bile Pigments for Multi‐Level Optical Security Films

open access: yesAdvanced Functional Materials, EarlyView.
Bio‐derived optical security materials are manufactured by embedding butterfly‐based pigments in polymer films. Tunable color and fluorescence responses arise from concentration‐controlled metachromasy, enabling spatially encoded patterns with distinct visible, UV‐active, and spectral signatures.
Limin Wang, Bodo D. Wilts
wiley   +1 more source

Discrete stochastic maximal regularity. [PDF]

open access: yesMath Ann
Evangelopoulos-Ntemiris F, Veraar M.
europepmc   +1 more source

Home - About - Disclaimer - Privacy