Results 91 to 100 of about 997,820 (281)

Clean Up Behind You ‐ Novel Patterning Approach for Solid Immersion Lenses

Advanced Functional Materials, EarlyView.
A focused ion beam (FIB) milling strategy enables rapid fabrication of solid immersion lenses (SILs) with smooth, debris‐free surfaces eliminating the need for post‐processing. The optimized pattern improves efficiency and surface quality. SILs containing NV centers are also investigated, confirming the technique's suitability for quantum and photonic ...
Aleksei Tsarapkin, Stefan Facsko, Wentao Zhang, Anna Mogilatenko, Kilian Unterguggenberger, Bailiang Li, Cem Güney Torun, Gerhard Hobler, Tommaso Pregnolato, Tim Schröder, Katja Höflich   +10 more
wiley   +1 more source

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

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, Akhil Pratap Singh, Pablo Campomanes, Stefano Vanni   +3 more
wiley   +1 more source

Bayesian Modeling and Estimation of Spatial Risk for Hospitalization and Mortality from Ischemic Heart Disease in Paraná, Brazil

Global Heart
Objective: Despite significant advancements in understanding risk factors and treatment strategies, ischemic heart disease (IHD) remains the leading cause of mortality worldwide, particularly within specific regions in Brazil, where the disease is a ...
Amanda de Carvalho Dutra, Lincoln Luis Silva, Amanda Gubert Alves dos Santos, Rogério do Lago Franco, Giane Aparecida Chaves Forato, Marcela Bergamini, Isadora Martins Borba, Edvaldo Vieira de Campos, Catherine Ann Staton, Diogo Pinetti Marquezoni, Oscar Kenji Nihei, João Ricardo Nickenig Vissoci, Luciano de Andrade   +12 more
doaj   +1 more source

On computational tools for Bayesian data analysis

, 2010
While Robert and Rousseau (2010) addressed the foundational aspects of Bayesian analysis, the current chapter details its practical aspects through a review of the computational methods available for approximating Bayesian procedures.
Marin, Jean-Michel, Robert, Christian P.
core   +1 more source

Active Learning‐Accelerated Discovery of Fibrous Hydrogels with Tissue‐Mimetic Viscoelasticity

Advanced Functional Materials, EarlyView.
Active learning accelerates the design of fibrous hydrogels that mimic the viscoelasticity of native tissues. By integrating multi‐objective optimization and closed‐loop experimentation, this approach efficiently identifies optimal formulations from thousands of possibilities and decouples elasticity and viscosity. The resulting hydrogels offer tunable
Zhengkun Chen, Zheyuan Miao, Gary Tom, Austin H. Cheng, Elizaveta Gusarova, Benjamen Zondag, Tianyi Wu, Dianoosh Kalhori, Boris Hinz, Milad Abolhasani, Alán Aspuru‐Guzik, Eugenia Kumacheva   +11 more
wiley   +1 more source

Beyond Presumptions: Toward Mechanistic Clarity in Metal‐Free Carbon Catalysts for Electrochemical H2O2 Production via Data Science

Advanced Materials, EarlyView.
Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu, Hsi‐wen Wu, Xiao Wang, Jie Zhang   +3 more
wiley   +1 more source

Self‐Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery

Advanced Materials, EarlyView.
This review highlights the role of self‐assembled monolayers (SAMs) in perovskite solar cells, covering molecular engineering, multifunctional interface regulation, machine learning (ML) accelerated discovery, advanced device architectures, and pathways toward scalable fabrication and commercialization for high‐efficiency and stable single‐junction and
Asmat Ullah, Ying Luo, Stefaan De Wolf
wiley   +1 more source

Honorary Lecture on S. James Press and Bayesian Analysis [PDF]

S. James Press's many contributions to statistical research, lecturing, mentoring students, the statistics profession, etc. are summarized. Then some new developments in Bayesian analysis are described and remarks on the future of Bayesian analysis are ...
Arnold Zellner
core   +1 more source

Superionic Amorphous Li2ZrCl6 and Li2HfCl6

Advanced Materials, EarlyView.
Amorphous Li2HfCl6 and L2ZrCl6 are shown to be promising solid‐state electrolytes with predicted ionic conductivities >20 mS·cm−1. Molecular dynamics simulations with machine‐learning force fields reveal that anion vibrations and flexible MCl6 octahedra soften the Li coordination cage and enhance mobility. Correlation between Li‐ion diffusivity and the
Shukai Yao, De‐en Jiang
wiley   +1 more source

Data‐Driven Discovery of Quaternary Ammonium Interlayers for Efficient and Thermally Stable Perovskite Solar Cells

Advanced Materials, EarlyView.
An active learning framework, grounded in independently generated in‐house experimental data, enables reliable discovery of high‐performance interfacial materials for perovskite solar cells. Iterative model refinement autonomously converges toward structurally robust quaternary ammonium architectures, establishing a new design principle for interfacial
Jongbeom Kim, Yang Jeong Park, Chaehoon Jeon, Nahye Shin, Jaewang Park, Seungun Lee, Jino Im, Sungroh Yoon, Sang Il Seok   +8 more
wiley   +1 more source