Results 211 to 220 of about 5,418,138 (286)

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

Clinical Impact of Routine HBV Screening in Oncologic Patients Prior to Chemotherapy. [PDF]

open access: yesJ Clin Med
Abu Sini H   +7 more
europepmc   +1 more source

Engineering Strategies for Stable and Long‐Life Alkaline Zinc‐Based Flow Batteries

open access: yesAdvanced Functional Materials, EarlyView.
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

Tough Injectable Hydrogels Enabled by Integrating Rigid Homogeneous Framework With Flexible Chains

open access: yesAdvanced Functional Materials, EarlyView.
Tough injectable hydrogels are constructed by integrating a rigid, homogeneous hyaluronic acid framework with flexible long‐chain connectors. This framework–flexible structure simultaneously enhances network uniformity and promotes effective energy dissipation by enlarging plastic deformation zones under compression.
Rijian Song   +10 more
wiley   +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

Structure Formation in Butterfly Scales: Interplay of Genetic Control, Mechanical Instabilities, and Dynamic Material Properties

open access: yesAdvanced Functional Materials, EarlyView.
Butterfly wing scales are intricate cuticular functional nanosctructures. This perspective suggests that spatially varying material properties, cytoskeletal constraints, and growth‐driven mechanical instabilities shape the resulting nanoscale architectures created from single cells.
Anupama Prakash   +10 more
wiley   +1 more source

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