Results 171 to 180 of about 6,307 (212)

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

The effect of artificial gravity on the outcome of a two-week resistance vibration exercise programme: BRAVE study. [PDF]

open access: yesExp Physiol
Mekjavic IB   +9 more
europepmc   +1 more source

In‐Situ Solution Complexation for n‐Type Surface‐Energetics Reconstruction in 2.0 eV Ultra‐Wide‐Bandgap Perovskite Solar Cells

open access: yesAdvanced Functional Materials, EarlyView.
A reactive in situ solution complexation strategy reconstructs the surface of 2.0 eV ultra‐wide‐bandgap perovskites via proton transfer. This chemical modulation eliminates metallic defects and induces a degenerate‐like n‐type surface, establishing an Ohmic tunneling contact.
Saemon Yoon   +11 more
wiley   +1 more source

Establishing a Model Precursor System: Over a Decade of Research on Carbon Dots from the Citric Acid‐Urea System

open access: yesAdvanced Functional Materials, EarlyView.
The citric acid/urea (CA‐Urea) precursor system offers a versatile, scalable route to carbon dots with tunable luminescence and multifunctionality. Mechanistic insights into precursor chemistry and reaction parameters have enabled doping, surface modification, and hybridization strategies, yielding CDs for luminescent devices, sensing, catalysis ...
Yupeng Liu   +10 more
wiley   +1 more source

Algorithmic Design of Disordered Networks With Arbitrary Coordination: Application to Biophotonics

open access: yesAdvanced 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

The Terminal Domains of Collagen‐Like Silk Direct Molecular Interactions and Liquid–Liquid Phase Separation‐Mediated Material Assembly

open access: yesAdvanced Functional Materials, EarlyView.
Terminal domains of recombinant collagen‐like silk regulate hierarchical self‐assembly across molecular and material scales. We show that terminal domains of collagen‐like silk enhance triple‐helix stability and drive liquid–liquid phase separation, enabling reversible formation of fibers and self‐healing films.
Mengjie Shen   +5 more
wiley   +1 more source

Atomic Layer Deposition in Transistors and Monolithic 3D Integration

open access: yesAdvanced Functional Materials, EarlyView.
Transistors are fundamental building blocks of modern electronics. This review summarizes recent progress in atomic layer deposition (ALD) for the synthesis of two‐dimensional (2D) metal oxides and transition‐metal dichalcogenides (TMDCs), with particular emphasis on their enabling role in monolithic three‐dimensional (M3D) integration for next ...
Yue Liu   +5 more
wiley   +1 more source

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